| SpectraBase Compound ID | JvHD2OwhAPx |
|---|---|
| InChI | InChI=1S/C17H13NOS/c19-14(11-10-13-6-2-1-3-7-13)12-17-18-15-8-4-5-9-16(15)20-17/h1-9,14,19H,12H2 |
| InChIKey | JKHHGUKZKYEZTG-UHFFFAOYSA-N |
| Mol Weight | 279.36 g/mol |
| Molecular Formula | C17H13NOS |
| Exact Mass | 279.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPZDL94gqIa |
|---|---|
| Name | 1-(1,3-Benzothiazol-2-yl)-4-phenyl-3-butyn-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.071785216 u |
| Formula | C17H13NOS |
| InChI | InChI=1S/C17H13NOS/c19-14(11-10-13-6-2-1-3-7-13)12-17-18-15-8-4-5-9-16(15)20-17/h1-9,14,19H,12H2 |
| InChIKey | JKHHGUKZKYEZTG-UHFFFAOYSA-N |
| Molecular Weight | 279.357 g/mol |
| SMILES | C(C(C#CC=1C=CC=CC1)O)C=1SC=2C(N1)=CC=CC2 |