| SpectraBase Spectrum ID |
B0FYxUIxzyy |
| Name |
Isobutyl 3-methylbenzoate |
| CAS Registry Number |
6640-78-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey |
DVLDXZFSLYUGHD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
975 |
| Retention Index |
1436 |
| SMILES |
C=1(C(OCC(C)C)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014r-6900000000-af0e39992397761c40be |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methyl-2-methylpropyl ester
Isobutyl-3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022448 |
