| SpectraBase Spectrum ID |
3BZKIVjaNM |
| Name |
Hexyl-p-toluate |
| CAS Registry Number |
27942-63-8 |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey |
PELWVATUYGIRES-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
937 |
| Retention Index |
1736 |
| SMILES |
C=1(C(OCCCCCC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-00kr-6900000000-dd0ad4d8a34593a6dc89 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Toluic acid hexyl ester
p-Toluicacid,hexyl ester
Hexyl-4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022430 |
