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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 2IfLdbHbyMn
Name (+-)-warfarin
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
Molecular Weight 308.333 g/mol
SMILES OC1=C(C(=O)Oc2c1cccc2)C(CC(C)=O)c1ccccc1
SPLASH splash10-014i-7692000000-7992c211b8ad4f297468
Source of Spectrum SRH-2022-11925-0
Synonyms 3-(.alpha.-acetonylbenzyl)-4-hydroxycoumarin
Wiley ID 1833470