| SpectraBase Compound ID | 7UB8f6dOT1C |
|---|---|
| InChI | InChI=1S/C10H8ClNO2/c11-9(6-12)5-7-1-3-8(4-2-7)10(13)14/h1-4,9H,5H2,(H,13,14) |
| InChIKey | LVBWJCQPRNBJNA-UHFFFAOYSA-N |
| Mol Weight | 209.63 g/mol |
| Molecular Formula | C10H8ClNO2 |
| Exact Mass | 209.024356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AT9JKzoa0Wr |
|---|---|
| Name | p-(2-Chloro-2-cyanoethyl)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.024356200 u |
| Formula | C10H8ClNO2 |
| InChI | InChI=1S/C10H8ClNO2/c11-9(6-12)5-7-1-3-8(4-2-7)10(13)14/h1-4,9H,5H2,(H,13,14) |
| InChIKey | LVBWJCQPRNBJNA-UHFFFAOYSA-N |
| Molecular Weight | 209.632 g/mol |
| SMILES | OC(C1=CC=C(C=C1)CC(C#N)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.72661 |