![o-{[alpha-(1-Nitroethyl)benzyl]thio}aniline](/api/spectrum/BQ5J8rPeRiN/structure.png?h=300&w=458 "o-{[alpha-(1-Nitroethyl)benzyl]thio}aniline")
| SpectraBase Compound ID | DctIMUuTRg8 |
|---|---|
| InChI | InChI=1S/C15H16N2O2S/c1-11(17(18)19)15(12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)16/h2-11,15H,16H2,1H3 |
| InChIKey | INJWQHQNDINBMN-UHFFFAOYSA-N |
| Mol Weight | 288.37 g/mol |
| Molecular Formula | C15H16N2O2S |
| Exact Mass | 288.093249 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BQ5J8rPeRiN |
|---|---|
| Name | o-{[alpha-(1-Nitroethyl)benzyl]thio}aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.093248935 u |
| Formula | C15H16N2O2S |
| InChI | InChI=1S/C15H16N2O2S/c1-11(17(18)19)15(12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)16/h2-11,15H,16H2,1H3 |
| InChIKey | INJWQHQNDINBMN-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C(C(SC1=CC=CC=C1N)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.938785 |