![N-[1-(methylthio)-2-nitrovinyl]aniline](/api/spectrum/3e9V04NXZjj/structure.png?h=300&w=458 "N-[1-(methylthio)-2-nitrovinyl]aniline")
| SpectraBase Compound ID | KCubR0r1D1S |
|---|---|
| InChI | InChI=1S/C9H10N2O2S/c1-14-9(7-11(12)13)10-8-5-3-2-4-6-8/h2-7,10H,1H3 |
| InChIKey | FBHJXWOURBPAKR-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C9H10N2O2S |
| Exact Mass | 210.046299 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3e9V04NXZjj |
|---|---|
| Name | N-[1-(Methylthio)-2-nitrovinyl]aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.046298742 u |
| Formula | C9H10N2O2S |
| InChI | InChI=1S/C9H10N2O2S/c1-14-9(7-11(12)13)10-8-5-3-2-4-6-8/h2-7,10H,1H3 |
| InChIKey | FBHJXWOURBPAKR-UHFFFAOYSA-N |
| Molecular Weight | 210.251 g/mol |
| SMILES | N(C=1C=CC=CC1)C(=CN(=O)=O)SC |
| Spectrum/Structure Validation Score (Raman) | 0.871084 |