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Warfarin
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzgzupuYvNA
Name WARFARINE
CAS Registry Number 81-81-2
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.
Exact Mass 308.104858991 u
Formula C19H16O4
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
Molecular Weight 308.333 g/mol
Nominal Mass 308 u
Number of Peaks 102
SMILES OC1=C(C(Oc2ccccc12)=O)C(CC(=O)C)c1ccccc1
SPLASH splash10-014i-4891000000-1685b468050a7d0f79a0
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
Technique GC/MS
Wiley ID WID_MSPA_3632