| SpectraBase Compound ID | I4ENCogHOmz |
|---|---|
| InChI | InChI=1S/C17H14N2O2S/c20-14-8-4-7-13(9-14)10-15-16(21)19-17(22-15)18-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,18,19,21)/b15-10+ |
| InChIKey | ODSUGXAMPGGJFT-XNTDXEJSSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H14N2O2S |
| Exact Mass | 310.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LKpP7wS7LQ |
|---|---|
| Name | (5E)-2-(Benzylamino)-5-(3-hydroxybenzylidene)-1,3-thiazol-4(5H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.077598871 u |
| Formula | C17H14N2O2S |
| InChI | InChI=1S/C17H14N2O2S/c20-14-8-4-7-13(9-14)10-15-16(21)19-17(22-15)18-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,18,19,21)/b15-10+ |
| InChIKey | ODSUGXAMPGGJFT-XNTDXEJSSA-N |
| SMILES | N(C1=NC(\C(=C/C=2C=C(C=CC2)O)S1)=O)CC1=CC=CC=C1 |