| SpectraBase Spectrum ID |
JEc12GWZQmG |
| Name |
3-Phenylpropanoic anhydride |
| Classification |
Chemical |
| 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 |
282.125594437 u |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey |
SQAHPYZABTWPNY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
282.339 g/mol |
| Nominal Mass |
282 u |
| Quality |
997 |
| Retention Index |
2561 |
| SMILES |
C1(CCC(OC(CCC=2C=CC=CC2)=O)=O)=CC=CC=C1 |
| SPLASH |
splash10-0zfu-5900000000-9e29d9b0e0e3fa52ccaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-phenylpropanoyl 3-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032166 |
