| SpectraBase Spectrum ID |
3NDFlsS0TFl |
| Name |
Isopropyl 3-methylbenzoate |
| CAS Registry Number |
6297-45-6 |
| 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)10-6-4-5-9(3)7-10/h4-8H,1-3H3 |
| InChIKey |
QSWDKFNZXXSIPQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
971 |
| Retention Index |
1316 |
| SMILES |
C=1(C(OC(C)C)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014l-8900000000-5638c5bbe1c329eb1963 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methyl-1-methylethyl ester
Isopropyl-3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022446 |
