| SpectraBase Spectrum ID |
5ZTTabH1FvE |
| Name |
Phenprocoumon |
| CAS Registry Number |
435-97-2 |
| Classification |
Pharmaceutical drug, anticoagulant |
| 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 |
280.109944372 u |
| Formula |
C18H16O3 |
| InChI |
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3 |
| InChIKey |
DQDAYGNAKTZFIW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.323 g/mol |
| Nominal Mass |
280 u |
| Quality |
996 |
| Retention Index |
2118 |
| SMILES |
OC1=C(C(C2=CC=CC=C2)CC)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-0ul0-3950000000-6268a68480887d42886f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Hydroxy-3-(1-phenylpropyl)chromen-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003550 |
