| SpectraBase Compound ID | LwHNzkSgvtv |
|---|---|
| InChI | InChI=1S/C16H13N3O2S/c1-18(13-5-3-2-4-6-13)16-17-15(11-22-16)12-7-9-14(10-8-12)19(20)21/h2-11H,1H3 |
| InChIKey | LKBXEKLPXMIXEZ-UHFFFAOYSA-N |
| Mol Weight | 311.36 g/mol |
| Molecular Formula | C16H13N3O2S |
| Exact Mass | 311.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCQGta8ZnI |
|---|---|
| Name | 4-(4-Nitrophenyl)-N-phenyl-1,3-thiazol-2-amine, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.072847843 u |
| Formula | C16H13N3O2S |
| InChI | InChI=1S/C16H13N3O2S/c1-18(13-5-3-2-4-6-13)16-17-15(11-22-16)12-7-9-14(10-8-12)19(20)21/h2-11H,1H3 |
| InChIKey | LKBXEKLPXMIXEZ-UHFFFAOYSA-N |
| Molecular Weight | 311.359 g/mol |
| SMILES | C=1(SC=C(N1)C1=CC=C(C=C1)N(=O)=O)N(C1=CC=CC=C1)C |