| SpectraBase Compound ID | 1Q8RFIxFG2l |
|---|---|
| InChI | InChI=1S/C15H13NS2/c1-11-5-4-6-12(9-11)10-17-15-16-13-7-2-3-8-14(13)18-15/h2-9H,10H2,1H3 |
| InChIKey | FVXUYMZWNKQDGV-UHFFFAOYSA-N |
| Mol Weight | 271.4 g/mol |
| Molecular Formula | C15H13NS2 |
| Exact Mass | 271.048942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kHUP5JXNfV |
|---|---|
| Name | Benzothiazole, 2-(3-methylbenzylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.048941771 u |
| Formula | C15H13NS2 |
| InChI | InChI=1S/C15H13NS2/c1-11-5-4-6-12(9-11)10-17-15-16-13-7-2-3-8-14(13)18-15/h2-9H,10H2,1H3 |
| InChIKey | FVXUYMZWNKQDGV-UHFFFAOYSA-N |
| Molecular Weight | 271.396 g/mol |
| SMILES | CC1=CC(CSC2=NC3=CC=CC=C3S2)=CC=C1 |