| SpectraBase Spectrum ID |
VrP1KHK5Y |
| Name |
Salicylic acid, hexyl ester |
| CAS Registry Number |
6259-76-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
78 |
| SMILES |
Oc1c(cccc1)C(OCCCCCC)=O |
| SPLASH |
splash10-00dl-7900000000-111fa9dc8b01aa0afc88 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001209 |
