| SpectraBase Spectrum ID |
EiYRkVPbrlJ |
| Name |
Benzenepropanoic acid, .beta.,.beta.-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13) |
| InChIKey |
JTZZMXVIHNHASS-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| SMILES |
C(C(C)(C)C1=CC=CC=C1)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948274 |
