| SpectraBase Compound ID | AW28h3fmlOD |
|---|---|
| InChI | InChI=1S/C13H9N3O2S/c14-9-19-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16(17)18/h1-8,15H |
| InChIKey | MASFGCCZKHLUCO-UHFFFAOYSA-N |
| Mol Weight | 271.29 g/mol |
| Molecular Formula | C13H9N3O2S |
| Exact Mass | 271.041548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQRnThxaQx3 |
|---|---|
| Name | Benzenamine, 4-isothiocyanato-N-(2-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.041547714 u |
| Formula | C13H9N3O2S |
| InChI | InChI=1S/C13H9N3O2S/c14-9-19-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16(17)18/h1-8,15H |
| InChIKey | MASFGCCZKHLUCO-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)NC1=CC=C(SC#N)C=C1)N(=O)=O |