| SpectraBase Spectrum ID |
3q2Xucw4TQ |
| Name |
Isopentyl salicylate |
| CAS Registry Number |
87-20-7 |
| 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 |
208.109944372 u |
| Formula |
C12H16O3 |
| 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/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 |
| Nominal Mass |
208 u |
| Number of Peaks |
96 |
| 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 |
RA000769 |
