| SpectraBase Spectrum ID |
FykMjUxbASZ |
| Name |
4-(4-Methylphenylsulfonamido)butyl 2-(phenylethynyl)-benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H25NO4S |
| InChI |
InChI=1S/C26H25NO4S/c1-21-13-17-24(18-14-21)32(29,30)27-19-7-8-20-31-26(28)25-12-6-5-11-23(25)16-15-22-9-3-2-4-10-22/h2-6,9-14,17-18,27H,7-8,19-20H2,1H3 |
| InChIKey |
BMJQLEQBHLMBBX-UHFFFAOYSA-N |
| Molecular Weight |
447.549 g/mol |
| SMILES |
N(S(c1ccc(cc1)C)(=O)=O)CCCCOC(c1c(C#Cc2ccccc2)cccc1)=O |
| SPLASH |
splash10-00di-9000000000-fa874d14a14468c716a0 |
| Source of Spectrum |
F-65-1783-20b |
| Wiley ID |
1681577 |
