| SpectraBase Spectrum ID |
Dnlg9dFX12u |
| Name |
Butanoic acid phenylmethyl ester |
| CAS Registry Number |
103-37-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3 |
| InChIKey |
VONGZNXBKCOUHB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
920 |
| Retention Index |
1324 |
| SMILES |
C=1(COC(CCC)=O)C=CC=CC1 |
| SPLASH |
splash10-052f-9300000000-27a5e39b0741dc1d2d52 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025407 |
