| SpectraBase Compound ID | AxMvBHO2M58 |
|---|---|
| InChI | InChI=1S/C15H14N2O2S/c1-11-3-7-13(8-4-11)16(2)15(20)12-5-9-14(10-6-12)17(18)19/h3-10H,1-2H3 |
| InChIKey | KMUOHMIEDDQIEB-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C15H14N2O2S |
| Exact Mass | 286.077599 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LvVUPnJb2wR |
|---|---|
| Name | N-Methyl-4-nitrothio-p-benzotoluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.077598871 u |
| Formula | C15H14N2O2S |
| InChI | InChI=1S/C15H14N2O2S/c1-11-3-7-13(8-4-11)16(2)15(20)12-5-9-14(10-6-12)17(18)19/h3-10H,1-2H3 |
| InChIKey | KMUOHMIEDDQIEB-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C(N(C=2C=CC(=CC2)C)C)=S)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.799501 |