| SpectraBase Compound ID | 5eSCYeGrWr9 |
|---|---|
| InChI | InChI=1S/C14H12ClNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h2-9H,1H3,(H,16,17) |
| InChIKey | AKDQLCZFOLMOLB-UHFFFAOYSA-N |
| Mol Weight | 245.71 g/mol |
| Molecular Formula | C14H12ClNO |
| Exact Mass | 245.060742 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JYnM9ayjkf2 |
|---|---|
| Name | 2-Chloro-o-benzotoluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.060741709 u |
| Formula | C14H12ClNO |
| InChI | InChI=1S/C14H12ClNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h2-9H,1H3,(H,16,17) |
| InChIKey | AKDQLCZFOLMOLB-UHFFFAOYSA-N |
| Molecular Weight | 245.709 g/mol |
| SMILES | N(C1=CC=CC=C1C)C(C=1C(=CC=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969359 |