| SpectraBase Spectrum ID |
2nPUrRsB6nY |
| Name |
Isopropyl 4-ethylbenzoate |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-4-10-5-7-11(8-6-10)12(13)14-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey |
MTTWKOGIBSWAOB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
941 |
| Retention Index |
1427 |
| SMILES |
C1(C(OC(C)C)=O)=CC=C(C=C1)CC |
| SPLASH |
splash10-053r-4900000000-a7fc4d290e94f5f04dc8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Ethylbenzoic acid isopropylyl ester
4-Ethylbenzoic acid isopropyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022415 |
