| SpectraBase Compound ID | 3D8COYVbuz5 |
|---|---|
| InChI | InChI=1S/C17H16N2O2S/c1-11(2)21-13-7-5-6-12(10-13)16(20)19-17-18-14-8-3-4-9-15(14)22-17/h3-11H,1-2H3,(H,18,19,20) |
| InChIKey | JPXFQLCQCXPOHA-UHFFFAOYSA-N |
| Mol Weight | 312.39 g/mol |
| Molecular Formula | C17H16N2O2S |
| Exact Mass | 312.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5o637iaBmfx |
|---|---|
| Name | N-(1,3-Benzothiazol-2-yl)-3-isopropoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.093248935 u |
| Formula | C17H16N2O2S |
| InChI | InChI=1S/C17H16N2O2S/c1-11(2)21-13-7-5-6-12(10-13)16(20)19-17-18-14-8-3-4-9-15(14)22-17/h3-11H,1-2H3,(H,18,19,20) |
| InChIKey | JPXFQLCQCXPOHA-UHFFFAOYSA-N |
| SMILES | N(C1=NC=2C=CC=CC2S1)C(C1=CC(OC(C)C)=CC=C1)=O |