| SpectraBase Compound ID | CX4ih5gC4Ey |
|---|---|
| InChI | InChI=1S/C14H10N2O2S2/c17-16(18)11-7-5-10(6-8-11)9-19-14-15-12-3-1-2-4-13(12)20-14/h1-8H,9H2 |
| InChIKey | LLIQPZZJZQYJNR-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C14H10N2O2S2 |
| Exact Mass | 302.01837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eHQ1XkLCC4 |
|---|---|
| Name | Benzothiazole, 2-(4-nitrobenzylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.018369916 u |
| Formula | C14H10N2O2S2 |
| InChI | InChI=1S/C14H10N2O2S2/c17-16(18)11-7-5-10(6-8-11)9-19-14-15-12-3-1-2-4-13(12)20-14/h1-8H,9H2 |
| InChIKey | LLIQPZZJZQYJNR-UHFFFAOYSA-N |
| Molecular Weight | 302.366 g/mol |
| SMILES | C1(=NC=2C=CC=CC2S1)SCC1=CC=C(N(=O)=O)C=C1 |