| SpectraBase Spectrum ID |
GWZSrIBH2zA |
| Name |
3,4-Dimethylbenzoic acid 2-hexyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-5-6-7-13(4)17-15(16)14-9-8-11(2)12(3)10-14/h8-10,13H,5-7H2,1-4H3 |
| InChIKey |
OUJNSNVEHKWMSF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Quality |
990 |
| Retention Index |
1681 |
| SMILES |
C1(C(OC(CCCC)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0fai-6900000000-3c371e04053705cd4d85 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethylbenzoic acid sec.-hexyl ester
3,4-Dimethylbenzoic acid-1-methylpentyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014683 |
