![2-[2-(1,3-Benzothiazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]phenol](/api/spectrum/8XJo4F2sDog/structure.png?h=300&w=458 "2-[2-(1,3-Benzothiazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]phenol")
| SpectraBase Compound ID | GNrXLpHg3Vw |
|---|---|
| InChI | InChI=1S/C16H12N4OS/c1-10-17-15(11-6-2-4-8-13(11)21)20(19-10)16-18-12-7-3-5-9-14(12)22-16/h2-9,21H,1H3 |
| InChIKey | VWSAPXWYBPCIGD-UHFFFAOYSA-N |
| Mol Weight | 308.36 g/mol |
| Molecular Formula | C16H12N4OS |
| Exact Mass | 308.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XJo4F2sDog |
|---|---|
| Name | 2-[2-(1,3-Benzothiazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.073182195 u |
| Formula | C16H12N4OS |
| InChI | InChI=1S/C16H12N4OS/c1-10-17-15(11-6-2-4-8-13(11)21)20(19-10)16-18-12-7-3-5-9-14(12)22-16/h2-9,21H,1H3 |
| InChIKey | VWSAPXWYBPCIGD-UHFFFAOYSA-N |
| Molecular Weight | 308.359 g/mol |
| SMILES | C12=CC=CC=C2SC(=N1)N1C(C2=C(C=CC=C2)O)=NC(C)=N1 |