| SpectraBase Spectrum ID |
IDng7pHOvvB |
| Name |
Hexyl salicylate |
| CAS Registry Number |
6259-76-3 |
| 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 |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3 |
| InChIKey |
DUKPKQFHJQGTGU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
978 |
| Retention Index |
1600 |
| SMILES |
OC1=C(C(OCCCCCC)=O)C=CC=C1 |
| SPLASH |
splash10-00di-3910000000-18c615802791329cba59 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexyl
n-Hexyl salicylate
Hexyl 2-hydroxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029598 |
