| SpectraBase Spectrum ID |
JnSfZsmZAgs |
| Name |
Phenylacetic acid, 2,2-dimethylpropyl 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/c1-13(2,3)10-15-12(14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey |
YQBKQCUGCCQFIH-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C1=CC(CC(=O)OCC(C)(C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985561 |
