| SpectraBase Compound ID | 6fWOF7Epb2A |
|---|---|
| InChI | InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | PNPCRKVUWYDDST-UHFFFAOYSA-N |
| Mol Weight | 127.57 g/mol |
| Molecular Formula | C6H6ClN |
| Exact Mass | 127.018877 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K6yIMEInfWI |
|---|---|
| Name | m-Chloroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.018876897 u |
| Formula | C6H6ClN |
| InChI | InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | PNPCRKVUWYDDST-UHFFFAOYSA-N |
| Molecular Weight | 127.574 g/mol |
| SMILES | NC=1C=C(C=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.949627 |