| SpectraBase Spectrum ID |
JJDQqsOPqDI |
| Name |
Isopropyl 2-methylbenzoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3 |
| InChIKey |
GKOTWEXRHKVLLK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
956 |
| Retention Index |
1290 |
| SMILES |
C=1(C(=CC=CC1)C)C(OC(C)C)=O |
| SPLASH |
splash10-014l-6900000000-b1ad05e722a84f2a2e91 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,2-methyl-,1-methylethyl ester
Isopropyl-2-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022437 |
