| SpectraBase Spectrum ID |
3Swn5wlhAW |
| Name |
Hexyl benzoate |
| CAS Registry Number |
6789-88-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey |
UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
982 |
| Retention Index |
1560 |
| SMILES |
C=1(C(OCCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-05fr-6900000000-8137d832a6452fd64bed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid hexyl ester
n-Hexyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034119 |
