| SpectraBase Spectrum ID |
JHHpfnyBpHE |
| Name |
3,4-Dimethylbenzoic acid isobutyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9(2)8-15-13(14)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3 |
| InChIKey |
HPBRYHAJUKWSLZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
991 |
| Retention Index |
1524 |
| SMILES |
C1(C(OCC(C)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0ke9-7900000000-37cc2bafbb45ab015fa2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethylbenzoic acid 2-methylpropyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014680 |
