Warfarin
Compound with spectra: 3 NMR, 5 FTIR, and 22 MS (GC)
| SpectraBase Compound ID | FZOP0eTsWVs |
|---|---|
| InChI | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
| InChIKey | PJVWKTKQMONHTI-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C19H16O4 |
| Exact Mass | 308.104859 g/mol |
| Copyright | Copyright © 2012-2024 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 © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2023-2024 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 © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Cat. #45706 |
| Source of Spectrum | Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Dr. Rolf Kuehnle |
| Technique | GC/MS |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Dr. Rolf Kuehnle |
| Technique | DI/MS |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Cat. #45706 |
| Source of Spectrum | Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-11925-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-27742-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AD-0-2532-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-1417-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AF-13-1197-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | B4-0-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CJ-0-31-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JC-562-35-11 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | TE-1992-2047-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Wisconsin Alumni Research Foundation |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Abbott Laboratories |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Technique | KBr WAFER |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 25801-6 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 258016 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 258016 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 258016 |
| Solvent | CDCl3 & DMSO-d6 |
- (+/-)-Warfarin
- WARFARIN SODIUM
- 3-(alpha-ACETONYLBENZYL)-4-HYDROXYCOUMARIN
- Coumafene
- Zoocoumarin
- Prothromadin
- COUMADIN SODIUM
- MAREVAN
- WARF-42
- COUMARIN, 4-HYDROXY-3-/3-OXO- 1-PHENYLBUTYL/-,
- 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2h-chromen-2-one
- WARFARINE
- 4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE
- Coumarin
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin
- 2-Hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one
(S)-3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one
4-Hydroxy-3-[1'-(p-bromophenyl)-3'-oxobutyl]-2H-1-benzopyran-2-one
3-(2R/S, 4S/R 2-Hydroxy-4-phenyl-pentyl)-4-hyroxy-coumarin
3-(2R/S, 4R/S 2-Hydroxy-4-phenyl-pentyl)-4-hyroxy-coumarin
3-(.alpha.-(2-hydoxypropyl)benzyl)-4-hydroxycoumarin
Phenprocoumon ME
Phenprocoumon-M (HO-) isomer-2 2ME
Butylidene-3,3'-bis(4-hydroxy-coumarin)
Propylidene-3,3'-bis(4-hydroxy-coumarin)
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
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Maurer, Meyer, Helfer, Weber: LC-HR-MS & MS Library of Drugs, Poisons, and Their Metabolites
Author: Hans H. Maurer, Markus Meyer, Andreas G. Helfer, Armin A. Weber
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.