![2-[(3,4-Dimethylbenzyl)thio]-6-nitrobenzothiazole](/api/spectrum/EZ62iMU5g73/structure.png?h=300&w=458 "2-[(3,4-Dimethylbenzyl)thio]-6-nitrobenzothiazole")
| SpectraBase Compound ID | KxOmff9lkSp |
|---|---|
| InChI | InChI=1S/C16H14N2O2S2/c1-10-3-4-12(7-11(10)2)9-21-16-17-14-6-5-13(18(19)20)8-15(14)22-16/h3-8H,9H2,1-2H3 |
| InChIKey | QUUNLSRINKHMEN-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C16H14N2O2S2 |
| Exact Mass | 330.04967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZ62iMU5g73 |
|---|---|
| Name | 2-[(3,4-Dimethylbenzyl)thio]-6-nitrobenzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.049670045 u |
| Formula | C16H14N2O2S2 |
| InChI | InChI=1S/C16H14N2O2S2/c1-10-3-4-12(7-11(10)2)9-21-16-17-14-6-5-13(18(19)20)8-15(14)22-16/h3-8H,9H2,1-2H3 |
| InChIKey | QUUNLSRINKHMEN-UHFFFAOYSA-N |
| Molecular Weight | 330.420 g/mol |
| SMILES | N(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCC=1C=C(C(=CC1)C)C |