| SpectraBase Spectrum ID |
2pOVsfj8kFs |
| Name |
3,4-Dimethylbenzoic acid -2-pentyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-5-6-12(4)16-14(15)13-8-7-10(2)11(3)9-13/h7-9,12H,5-6H2,1-4H3 |
| InChIKey |
LESBTKSLXZGLCL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
927 |
| Retention Index |
1581 |
| SMILES |
C1(C(OC(CCC)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0kec-8900000000-1767e7f02372b36341c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethylbenzoic acid -sec.-pentyl ester
3,4-Dimethylbenzoic acid -1-methylbutyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014681 |
