| SpectraBase Spectrum ID |
5XDNzmiySf2 |
| Name |
Heptanoic acid phenylmethyl ester |
| CAS Registry Number |
5454-21-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey |
UEDDAJQIHUEZCJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
992 |
| Retention Index |
1591 |
| SMILES |
C=1(COC(CCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0006-9300000000-8116f01cf29c8f159ee3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzyl heptanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008265 |
