| SpectraBase Compound ID | 9TdbOt3C3uN |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14) |
| InChIKey | AOCKAGPJEHVOTH-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CqAGBn7mqLg |
|---|---|
| Name | 3-Methyl-2-phenyl-2-pentenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14) |
| InChIKey | AOCKAGPJEHVOTH-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | OC(=O)C(C=1C=CC=CC1)=C(C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.899101 |