| SpectraBase Spectrum ID |
5RJi75aUUWH |
| Name |
Isobutyl salicylate |
| CAS Registry Number |
87-19-4 |
| 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 |
194.094294308 u |
| Formula |
C11H14O3 |
| 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/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3 |
| InChIKey |
PTXDBYSCVQQBNF-UHFFFAOYSA-N |
| Molecular Weight |
194.230 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
117 |
| SMILES |
Oc1c(C(OCC(C)C)=O)cccc1 |
| SPLASH |
splash10-00di-4900000000-04c6a0796e68b1f213e9 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002175 |
