| SpectraBase Compound ID | 48vNO45sRye |
|---|---|
| InChI | InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+ |
| InChIKey | RTSIUKMGSDOSTI-SNAWJCMRSA-N |
| Mol Weight | 166.15 g/mol |
| Molecular Formula | C9H7FO2 |
| Exact Mass | 166.043008 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2vYSZsXlB89 |
|---|---|
| Name | Trans-3-fluorocinnamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.043007626 u |
| Formula | C9H7FO2 |
| InChI | InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+ |
| InChIKey | RTSIUKMGSDOSTI-SNAWJCMRSA-N |
| Molecular Weight | 166.151 g/mol |
| SMILES | C1(F)=CC(\C=C\C(=O)O)=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.885107 |