| SpectraBase Compound ID | 20x44s3GKK6 |
|---|---|
| InChI | InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | NMWSKOLWZZWHPL-UHFFFAOYSA-N |
| Mol Weight | 188.66 g/mol |
| Molecular Formula | C12H9Cl |
| Exact Mass | 188.039278 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DMv7rqOPWLN |
|---|---|
| Name | 3-Chlorobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.039277990 u |
| Formula | C12H9Cl |
| InChI | InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | NMWSKOLWZZWHPL-UHFFFAOYSA-N |
| Molecular Weight | 188.657 g/mol |
| SMILES | C1(Cl)=CC=CC(=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.990979 |