| SpectraBase Compound ID | Ijw1psPRWcb |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,13,14) |
| InChIKey | FTYMRMGNYRIGTH-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ZhqlEg5ilo |
|---|---|
| Name | 2-Methyl-3-phenylpent-4-enoic 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/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,13,14) |
| InChIKey | FTYMRMGNYRIGTH-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(C(C(C=C)C1=CC=CC=C1)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962775 |