| SpectraBase Spectrum ID |
JJTUW0IGLXE |
| Name |
Benzeneaceticacid,phenylmethyl ester |
| CAS Registry Number |
102-16-9 |
| Classification |
Chemical |
| 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 |
226.099379689 u |
| Formula |
C15H14O2 |
| InChI |
InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey |
MIYFJEKZLFWKLZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.275 g/mol |
| Nominal Mass |
226 u |
| Quality |
959 |
| Retention Index |
1692 |
| SMILES |
C=1(CC(OCC2=CC=CC=C2)=O)C=CC=CC1 |
| SPLASH |
splash10-0006-9000000000-9a2c76cf8e3ebaa38f8d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzyl phenylacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024944 |
