3-Isobutyl-1-methylxanthine
Compound with spectra: 3 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, 2 MS (GC), and 10 MS (LC)
| SpectraBase Compound ID | 6Z3taMePoDU |
|---|---|
| InChI | InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| Mol Weight | 222.25 g/mol |
| Molecular Formula | C10H14N4O2 |
| Exact Mass | 222.111676 g/mol |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Cayman Chemical Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 13347 |
| Technique | KBr0 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | 85845 |
| Technique | KBr WAFER |
| Copyright | Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | I5879 |
| 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 | 13347 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 858455 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | I5879 |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-1989-26627-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| 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 |
- IBMX
- 1-Methyl-3-isobutylxanthine
- NSC 165960
- Isobutylmethylxanthin
- Xanthine, 3-isobutyl-1-methyl-
- 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
- 3-(2-Methyl-propyl)-1-methyl-xanthine
- 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
- Isobutylmethylxanthine
- Methyl-isobutylxanthine
- 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione
- 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
- 3-isobutyl-1-methyl-7H-purine-2,6-dione
- 3-isobutyl-1-methyl-7H-purine-2,6-quinone
- CCRIS 4290
- EINECS 249-259-3
- SC 2964
- 3-Isobutyl-1-methyl-2,6(1H,3H)-purinedione
- 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
- IMX
2,6-dioxo-1-methyl-1,2,3,6-tetrahydropurine-3-propionitrile
3-(2-Hydroxy-ethyl)-1-methyl-3,7-dihydro-purine-2,6-dione
Pentoxifylline-metabolite 14 (3-demethyl)
8-Bromotheophylline, compd. with 2-amino-4-picoline (1:1)
1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl-
6-Bromo-1,3-dimethyl-pteridine-2,4-quinone
No Name
3,5,7-Trimethyl-5H-pyrimido[4,5-E][1,2,4]triazine-6,8-dione
AZD 5904
1-aminotheobromine
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 UV-Vis Spectral Library
Author: Wiley
Wiley's KnowItAll UV-Vis Spectral Library offers access to the world's largest collection of high-quality UV-Vis Sadtler spectra. Learn more.
Sigma-Aldrich Library of ATR-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of ATR-IR Spectra is a comprehensive collection of ATR-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Cayman Chemical Company | |
| Sigma-Aldrich Company LLC |