| SpectraBase Spectrum ID |
6qhd1ZgcSwJ |
| Name |
(3-Methylbutyl)-p-toluate |
| CAS Registry Number |
331810-91-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
WDNOGGRIGNCXKH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
943 |
| Retention Index |
1546 |
| SMILES |
C=1(C(OCCC(C)C)=O)C=CC(=CC1)C |
| SPLASH |
splash10-01bl-9600000000-e4f670c2b9044997a7c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methylbenzoic acid isoamyl ester
p-Toluic acid 3-methylbutyl ester
4-Methylbenzoic acid-3-methylbutyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010319 |
