| SpectraBase Spectrum ID |
GbHOKyJDuMH |
| Name |
2-dec-1-Ynyl-1-[4-(dec-1-ynyl)benzenesulfonyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.290551764 u |
| Formula |
C32H42O2S |
| InChI |
InChI=1S/C32H42O2S/c1-3-5-7-9-11-13-15-17-21-29-25-27-31(28-26-29)35(33,34)32-24-20-19-23-30(32)22-18-16-14-12-10-8-6-4-2/h19-20,23-28H,3-16H2,1-2H3 |
| InChIKey |
LVZZURZTNJWIPY-UHFFFAOYSA-N |
| Molecular Weight |
490.746 g/mol |
| SMILES |
C=1(C(=CC=CC1)C#CCCCCCCCC)S(=O)(=O)C=1C=CC(=CC1)C#CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806243 |
![2-Dec-1-ynyl-1-[4-(dec-1-ynyl)benzenesulfonyl]benzene](/api/spectrum/GbHOKyJDuMH/structure.png?h=300&w=458 "2-Dec-1-ynyl-1-[4-(dec-1-ynyl)benzenesulfonyl]benzene")
