| SpectraBase Spectrum ID |
JJT8eyf6cV6 |
| Name |
3,4-Dimethylbenzoic acid isopentyl 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/c1-10(2)7-8-16-14(15)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey |
YWULHGKRNZCZPE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
826 |
| Retention Index |
1644 |
| SMILES |
C1(C(OCCC(C)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0zir-6900000000-40b2a0824dfe90472345 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethylbenzoic acid isoamylester
3,4-Dimethylbenzoic acid -3-methylbutyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014682 |
