| SpectraBase Compound ID | DXfD3Omg5gW |
|---|---|
| InChI | InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | XMKZAIHFVHJGPV-UHFFFAOYSA-N |
| Mol Weight | 154.14 g/mol |
| Molecular Formula | C8H7FO2 |
| Exact Mass | 154.043008 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4S50ylLfTLU |
|---|---|
| Name | 3-Fluoro-2-methylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.043007626 u |
| Formula | C8H7FO2 |
| InChI | InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | XMKZAIHFVHJGPV-UHFFFAOYSA-N |
| Molecular Weight | 154.140 g/mol |
| SMILES | C(O)(C=1C=CC=C(C1C)F)=O |
| Spectrum/Structure Validation Score (Raman) | 0.933375 |