| SpectraBase Spectrum ID |
HOCOQU2RhsX |
| Name |
6-(4-Methylphenylsulfonamido)hexyl 2-(hex-1-ynyl)-benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.213029717 u |
| Formula |
C26H33NO4S |
| InChI |
InChI=1S/C26H33NO4S/c1-3-4-5-8-13-23-14-9-10-15-25(23)26(28)31-21-12-7-6-11-20-27-32(29,30)24-18-16-22(2)17-19-24/h9-10,14-19,27H,3-7,11-12,20-21H2,1-2H3 |
| InChIKey |
KDEKGKLBAFTRME-UHFFFAOYSA-N |
| Molecular Weight |
455.613 g/mol |
| SMILES |
C=1(S(=O)(=O)NCCCCCCOC(C=2C(C#CCCCC)=CC=CC2)=O)C=CC(=CC1)C |
