| SpectraBase Compound ID | HI3jbcNpS6f |
|---|---|
| InChI | InChI=1S/C26H26ClNO2S/c1-22-13-17-26(18-14-22)31(29,30)28(20-7-3-6-19-27)25-12-8-11-24(21-25)16-15-23-9-4-2-5-10-23/h2,4-5,9-10,13-14,17-18,21,25H,3,6,8,11-12,19H2,1H3 |
| InChIKey | BUMPYPGZQFKGBI-UHFFFAOYSA-N |
| Mol Weight | 452.01 g/mol |
| Molecular Formula | C26H26ClNO2S |
| Exact Mass | 451.137278 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BqnqNerse |
|---|---|
| Name | N-(5-Chloropent-1-yn-1-yl)-4-methyl-N-(3-(phenylethynyl)cyclohex-2-en-1-yl)benzenesulfonamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H26ClNO2S |
| InChI | InChI=1S/C26H26ClNO2S/c1-22-13-17-26(18-14-22)31(29,30)28(20-7-3-6-19-27)25-12-8-11-24(21-25)16-15-23-9-4-2-5-10-23/h2,4-5,9-10,13-14,17-18,21,25H,3,6,8,11-12,19H2,1H3 |
| InChIKey | BUMPYPGZQFKGBI-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/adsc.201801469 |
| Molecular Weight | 452.012 g/mol |
| SMILES | c1(ccc(cc1)C)S(N(C1C=C(CCC1)C#Cc1ccccc1)C#CCCCCl)(=O)=O |
| SPLASH | splash10-0gc0-1750900000-43233f3f52ba2a158355 |
| Source of Spectrum | ASC-361-SM16-1m |
| Wiley ID | 1813970 |