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Warfarin

View entire compound with spectra: 3 NMR, 5 FTIR, and 22 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BMKTwJaiAYa
Name WARFARIN
Source of Sample Wisconsin Alumni Research Foundation
CAS Registry Number 81-81-2
Chemical Description 3-(alpha-ACETONYLBENZYL)-4-HYDROXYCOUMARIN
Classification RODENTICIDE
Compound Type Pure
Copyright Copyright © 1980, 1981-2024 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
Melting Point 161C
Molecular Weight 308.333640
Synonyms COUMAFENE WARF-42 ZOOCOUMARIN
Technique KBr WAFER
Web Link http://www.cdc.gov/niosh/npg/npgd0665.html