| SpectraBase Spectrum ID |
JGYqhveqUKm |
| Name |
Benzoic acid phenyl ester |
| CAS Registry Number |
93-99-2 |
| Classification |
Preservative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
198.068079560 u |
| Formula |
C13H10O2 |
| InChI |
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
| InChIKey |
FCJSHPDYVMKCHI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.221 g/mol |
| Nominal Mass |
198 u |
| Quality |
994 |
| Retention Index |
1492 |
| SMILES |
C=1(C(OC=2C=CC=CC2)=O)C=CC=CC1 |
| SPLASH |
splash10-0a4i-5900000000-9f03e288df907294075f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
phenyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005660 |
