| SpectraBase Spectrum ID |
Dk8jevEkRgN |
| Name |
2-Methyl-2-(p-tolyl)propanoic acid; benzeneacetic acid, alpha,alpha,4-trimethyl-; hydratropic acid, p,alpha-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/c1-8-4-6-9(7-5-8)11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13) |
| InChIKey |
SHDBWXXRCCHGQD-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| SMILES |
OC(C(C1=CC=C(C=C1)C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.892145 |
