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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 S7M4IezZfg
Name 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2h-chromen-2-one
Alternate Name(s) 3-(1'-Phenyl-1'-acetonylmethyl)-2-one-4-hydroxy-benzopyran
Comments MONAID: JP001417
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Ionization Type EI-B
SMILES OC1=C(C(CC(C)=O)c2ccccc2)C(=O)Oc2c1cccc2
SPLASH splash10-014i-0293000000-0bf50bb8b796294ae153
Source of Spectrum SRH-2022-1417-0
Wiley ID 1823842