| SpectraBase Compound ID | I8BxVZChbri |
|---|---|
| InChI | InChI=1S/C21H17NO2S/c1-18-12-14-21(15-13-18)25(23,24)22(20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,1H3 |
| InChIKey | KABHFIUSKWPBMJ-UHFFFAOYSA-N |
| Mol Weight | 347.43 g/mol |
| Molecular Formula | C21H17NO2S |
| Exact Mass | 347.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQsJPmP7uA2 |
|---|---|
| Name | N-(Phenyl)-N-phenylethynyl tosylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.097999963 u |
| Formula | C21H17NO2S |
| InChI | InChI=1S/C21H17NO2S/c1-18-12-14-21(15-13-18)25(23,24)22(20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,1H3 |
| InChIKey | KABHFIUSKWPBMJ-UHFFFAOYSA-N |
| Molecular Weight | 347.432 g/mol |
| SMILES | C(N(S(C=1C=CC(=CC1)C)(=O)=O)C1=CC=CC=C1)#CC1=CC=CC=C1 |