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Heptabarbital
SpectraBase Compound ID A2vxXSayUqN
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 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 © 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 © 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-2022-3838-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum A-2-601-1
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.
Source of Spectrum MI-0-26-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum FI-0-33-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum EP-7741-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-5497-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-2054-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-117-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-530-314-38
Copyright Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Cayman Chemical Company
Source of Spectrum Forensic Spectral Research
Catalog Number 32706
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 © 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 © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Geigy Pharmaceuticals, Ardsley, New York
Solvent TFA
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Cayman Chemical Company
Source of Spectrum Forensic Spectral Research
Catalog Number 32706
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Geigy Chemical Corporation
Technique KBr WAFER
  • 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid
  • Medomin
  • Heptadorm
  • Heptabarbitone
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-
  • Heptabarbital_neg
  • 5-(1-Cycloheptenyl)-5-ethyl-barbituric acid
  • 5-(1-Cycloheptenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
  • 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
  • Noctyn
  • Medapan
  • Heptamal
  • Medomine
  • Heptabarb
  • Heptabarbe
  • Heptabarbo
  • Heptamalum
  • Heptabarbum
  • Heptbarbital
  • 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Cycloheptenylethylmalonylurea
  • Cycloheptenylethylbarbituric acid
  • 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure
  • 5-Ethyl-5-cycloheptenylbarbituric acid
  • Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl-
  • 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid
  • 5-(cyclohepten-1-yl)-5-ethyl-barbituric acid
  • 5-(cyclohepten-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
  • EINECS 208-107-6
  • G 475

This compound is available in the following databases:

Wiley Registry of Tandem Mass Spectral Data: MS for ID

Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria

The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.

Mass Spectra of Designer Drugs 2024

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This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.

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KnowItAll IR, Raman, and UV-Vis Spectral Libraries

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The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral 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.

Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition

Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber

Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.

Vendor/Supplier Catalog Number
Cayman Chemical Company
Unknown Identification

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