| SpectraBase Compound ID | 4lhVbJYXyQD |
|---|---|
| InChI | InChI=1S/C7H8N2O2S/c1-8-6-3-2-5(12)4-7(6)9(10)11/h2-4,8,12H,1H3 |
| InChIKey | GODOBXXONFOIMN-UHFFFAOYSA-N |
| Mol Weight | 184.21 g/mol |
| Molecular Formula | C7H8N2O2S |
| Exact Mass | 184.030649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KT9uN6Tu1UT |
|---|---|
| Name | 4-(Methylamino)-3-nitrobenzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.030648678 u |
| Formula | C7H8N2O2S |
| InChI | InChI=1S/C7H8N2O2S/c1-8-6-3-2-5(12)4-7(6)9(10)11/h2-4,8,12H,1H3 |
| InChIKey | GODOBXXONFOIMN-UHFFFAOYSA-N |
| SMILES | CNC1=CC=C(S)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947903 |