![3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione](/api/spectrum/kQAeHdIMdy/structure.png?h=300&w=458 "3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione")
| SpectraBase Compound ID | FCg7Kwl70w1 |
|---|---|
| InChI | InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2 |
| InChIKey | UTKZLNADJQUIFU-UHFFFAOYSA-N |
| Mol Weight | 317.38 g/mol |
| Molecular Formula | C14H11N3O2S2 |
| Exact Mass | 317.029269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kQAeHdIMdy |
|---|---|
| Name | 3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.029268952 u |
| Formula | C14H11N3O2S2 |
| InChI | InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2 |
| InChIKey | UTKZLNADJQUIFU-UHFFFAOYSA-N |
| Molecular Weight | 317.381 g/mol |
| SMILES | N(C1=CC=C(C=C1)N(=O)=O)CN1C=2C=CC=CC2SC1=S |