| SpectraBase Spectrum ID |
JG4TKXJ9T9M |
| Name |
Warfarin AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
350.115423675 u |
| Formula |
C21H18O5 |
| InChI |
InChI=1S/C21H18O5/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(25-14(2)23)16-10-6-7-11-18(16)26-21(19)24/h3-11,17H,12H2,1-2H3 |
| InChIKey |
AZJMOTKZYSVMRV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
350.370 g/mol |
| Nominal Mass |
350 u |
| Quality |
923 |
| Retention Index |
2612 |
| SMILES |
C1(=C(C=2C(OC1=O)=CC=CC2)OC(=O)C)C(C1=CC=CC=C1)CC(=O)C |
| SPLASH |
splash10-014i-0592000000-89257a89b0a974922cc2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004259 |
