| SpectraBase Spectrum ID |
JJXguAsKd3g |
| Name |
Hexyl 3-methylbenzoate |
| CAS Registry Number |
67101-63-7 |
| 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/c1-3-4-5-6-10-16-14(15)13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey |
GYAMMOVKXUZHFX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
930 |
| Retention Index |
1716 |
| SMILES |
C=1(C(OCCCCCC)=O)C=C(C=CC1)C |
| SPLASH |
splash10-00ku-8900000000-5b72c0592eccd2facffb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
m-Toluic acid,hexyl ester
Hexyl-3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022450 |
