| SpectraBase Compound ID | 2lb6tSJyg2t |
|---|---|
| InChI | InChI=1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | SIOJFYRPBYGHOO-UHFFFAOYSA-N |
| Mol Weight | 172.59 g/mol |
| Molecular Formula | C8H6ClFO |
| Exact Mass | 172.009121 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3bi74IjTjvh |
|---|---|
| Name | 4-Fluorophenyl-acetic-acid-chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.009120675 u |
| Formula | C8H6ClFO |
| InChI | InChI=1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | SIOJFYRPBYGHOO-UHFFFAOYSA-N |
| Molecular Weight | 172.586 g/mol |
| SMILES | C1(F)=CC=C(CC(=O)Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.941194 |