| SpectraBase Spectrum ID |
JHicfny71t2 |
| Name |
3,4-Dimethylbenzoic acid isopropyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-8(2)14-12(13)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3 |
| InChIKey |
WECSVHOWKJVOME-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
982 |
| Retention Index |
1389 |
| SMILES |
C1(C(OC(C)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0560-7900000000-2bcbb318a1bb67239090 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl 3,4-dimethylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014676 |
