| SpectraBase Compound ID | FbDaHsmCRUy |
|---|---|
| InChI | InChI=1S/C13H12ClNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2 |
| InChIKey | SJLCTRSOOSLQST-UHFFFAOYSA-N |
| Mol Weight | 233.7 g/mol |
| Molecular Formula | C13H12ClNO |
| Exact Mass | 233.060742 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DXr2xhlocDh |
|---|---|
| Name | alpha-(p-Chloroanilino)-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.060741709 u |
| Formula | C13H12ClNO |
| InChI | InChI=1S/C13H12ClNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2 |
| InChIKey | SJLCTRSOOSLQST-UHFFFAOYSA-N |
| Molecular Weight | 233.698 g/mol |
| SMILES | N(CC=1C(=CC=CC1)O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.832482 |