| SpectraBase Compound ID | DkjMzmjlpTm |
|---|---|
| InChI | InChI=1S/C16H11BrN4S/c1-10-18-15(11-6-8-12(17)9-7-11)20-21(10)16-19-13-4-2-3-5-14(13)22-16/h2-9H,1H3 |
| InChIKey | PDWDTYTXUCGGMS-UHFFFAOYSA-N |
| Mol Weight | 371.26 g/mol |
| Molecular Formula | C16H11BrN4S |
| Exact Mass | 369.988781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MeGgfbR67A |
|---|---|
| Name | 1-(2-Benzothiazolyl)-3-(4-bromophenyl)-5-methyl-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.988780544 u |
| Formula | C16H11BrN4S |
| InChI | InChI=1S/C16H11BrN4S/c1-10-18-15(11-6-8-12(17)9-7-11)20-21(10)16-19-13-4-2-3-5-14(13)22-16/h2-9H,1H3 |
| InChIKey | PDWDTYTXUCGGMS-UHFFFAOYSA-N |
| Molecular Weight | 371.256 g/mol |
| SMILES | C1(N2N=C(C3=CC=C(C=C3)Br)N=C2C)=NC2=CC=CC=C2S1 |