| SpectraBase Spectrum ID |
Djk5NZRFnTU |
| Name |
Phenprocoumon ME |
| Classification |
Pharmaceutical drug derivative |
| 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 |
294.125594437 u |
| Formula |
C19H18O3 |
| InChI |
InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(21-2)15-11-7-8-12-16(15)22-19(17)20/h4-12,14H,3H2,1-2H3 |
| InChIKey |
KPEHKYBVRDXSBF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
294.350 g/mol |
| Nominal Mass |
294 u |
| Quality |
976 |
| Retention Index |
2218 |
| SMILES |
C1(=C(C=2C(OC1=O)=CC=CC2)OC)C(C=1C=CC=CC1)CC |
| SPLASH |
splash10-00kf-9680000000-3942049ceab4cc582db4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Coumarin,4-methoxy-3-(1-phenylpropyl)
Coumarin,4-methoxy-3-(1-phenylpropyl)-
4-methoxy-3-(1-phenylpropyl)-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022722 |
