| SpectraBase Spectrum ID |
KuUjy7erL59 |
| Name |
(.+/-.)-2-phenylpropanoic acid, 2-methylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey |
SLHZHWKPMPEPSA-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C(C(OCC(C)C)=O)(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948892 |
