| SpectraBase Compound ID | HCGhqU7UgMi |
|---|---|
| InChI | InChI=1S/C10H11FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13) |
| InChIKey | RGWUPQHXIQNHFN-UHFFFAOYSA-N |
| Mol Weight | 182.19 g/mol |
| Molecular Formula | C10H11FO2 |
| Exact Mass | 182.074308 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 45jSsKazroa |
|---|---|
| Name | p-Fluoro-beta-methylhydrocinnamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.074307755 u |
| Formula | C10H11FO2 |
| InChI | InChI=1S/C10H11FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13) |
| InChIKey | RGWUPQHXIQNHFN-UHFFFAOYSA-N |
| Molecular Weight | 182.194 g/mol |
| SMILES | OC(CC(C1=CC=C(C=C1)F)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958022 |