| SpectraBase Spectrum ID |
8U5HGeWe6lA |
| Name |
Isopentyl salicylate |
| CAS Registry Number |
87-20-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey |
PMGCQNGBLMMXEW-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
Oc1c(cccc1)C(OCCC(C)C)=O |
| SPLASH |
splash10-00di-6900000000-5a71406d65f3f7c3a999 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886530 |
