| SpectraBase Spectrum ID |
8H7tqrThefQ |
| Name |
Warfarin |
| CAS Registry Number |
81-81-2 |
| Classification |
Pharmaceutical drug, anticoagulant, rodenticide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
308.333 g/mol |
| Nominal Mass |
308 u |
| Quality |
919 |
| Retention Index |
2315 |
| SMILES |
OC1=C(C(C2=CC=CC=C2)CC(=O)C)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-014i-1691000000-f65d9d4e2d2951995abf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Coumafene
Prothromadin
Zoocoumarin
2-Hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004257 |
