Pentobarbital
Compound with spectra: 3 NMR, 2 FTIR, 1 Raman, 29 MS (GC), and 16 MS (LC)
| SpectraBase Compound ID | CMIDElRh6z0 |
|---|---|
| InChI | InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
| InChIKey | WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C11H18N2O3 |
| Exact Mass | 226.131742 g/mol |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-3839-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-750-0 |
| Catalog Number | 20965 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | A-2-591-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-3038-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | MI-0-27-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-5-6661-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-18-2197-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-18-2196-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-7637-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-184-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-1894-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JC-530-312-21 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AD-0-2484-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | E-49-437-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01623 |
| Technique | KBr0 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01623 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Technique | HCD |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Technique | HCD |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Technique | ITMS |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Technique | ITMS |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
|---|---|
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Technique | Q-TOF |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | F. I. Carroll, C. G. Moreland J. Chem. Soc. Perkin Trans. Ii, 1974, 374 |
| Solvent | Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol PFT-100 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DI |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01623 |
- 5-Ethyl-5-(1-methylbutyl)-barbituric acid
- Nembutal
- 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- NEMBUTAL 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-
- Pentobarbitone
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-
- Pentobarbital MS2
- Thiopental-M (pentobarbital) MS2
- Thiopental-M (pentobarbital)_neg ##
- Pentobarbital_neg ##
- Pentobarbital @
- Pentobarbital sodium
- Amobarbital
- 5-Ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- Mebumal
- Neodorm
- Sagatal
- Continal
- Dorsital
- Nebralin
- Rivadorm
- Carbrital
- Ethaminal
- Sedalixir
- Component of Emesert
- Component of Synirin
- Aethaminalum
- Mebubarbital
- Neodorm (new)
- Pentabarbital
- Pentabarbitone
- Pentobarbitale
- Nembutal sodium
- Pentobarbitalum
- Pentobarbiturate
- Pentobarbituric acid
- Sodium pentobarbital
- Barbituric acid, 5-ethyl-5-(2-pentyl)-
- 5-Ethyl-5-(1-methylbutyl)malonylurea
- 5-Ethyl-5-(sec-pentyl)barbituric acid
- Ethyl-propylmethylcarbinylbarbituric acid
- Pentobarbital suppository dosage form
- Barbituric acid, 5-ethyl-5-(1-methylbutyl)-
- 5-Ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
- CCRIS 7089
- HSDB 3151
- DEA NO. 2270
- EINECS 200-983-8
- NSC 28708
- BRN 0087067
- 5-Ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- Thiopental-M (pentobarbital)
- 5-ethyl-5-isopentyl-1,3-diazinane-2,4,6-trione
5-(2-hydroxypropyl)-5-isopropyl-barbituric acid
5-(1-Byutyl)-5-(2-hydroxycarbonylmethyl)barbituric acid
5-Butyl-5-ethyl-6(5H)-imino-2,4(1H,3H)-pyrimidinedione
Brallobarbital-M (HO-)
Metharbital
5-[4'-(Hydroxymethyl)cyclopent-2'-enyl]pyrimidine-2,4,6(1H,3H,5H)-trione
5-Fluoro-5-phenyl-2,4,6-pyrimidinetrione
1-Acyl-4,4-diethyl-3,5-pyrazolidinedione
CIS-3,4-DIMETHYL-CYCLOPENTANE-1-SPIRO-5'-HYDANTOIN;(BETA-ISOMER)
CIS-3,4-DIMETHYL-CYCLOPENTANE-1-SPIRO-5'-HYDANTOIN;(ALPHA-ISOMER)
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.
KnowItAll GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.