| SpectraBase Spectrum ID |
DnSb9zeL8rI |
| Name |
Ethyl 4-ethylbenzoate |
| CAS Registry Number |
36207-13-3 |
| 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/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
ZPUKPAPWEWUPTC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
993 |
| Retention Index |
1365 |
| SMILES |
C=1(C(OCC)=O)C=CC(=CC1)CC |
| SPLASH |
splash10-001i-2900000000-9a6be5843b16b6e0a387 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Ethylbenzoic acid ethyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022414 |
