| SpectraBase Spectrum ID |
BlJfudxf9hR |
| Name |
3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.175915933 u |
| Formula |
C25H28O3S |
| InChI |
InChI=1S/C25H28O3S/c1-3-4-5-6-7-8-13-23-14-9-10-15-24(23)16-11-12-21-28-29(26,27)25-19-17-22(2)18-20-25/h9-10,14-15,17-20H,3-7,12,21H2,1-2H3 |
| InChIKey |
URZZNGZAHXWYKX-UHFFFAOYSA-N |
| Molecular Weight |
408.556 g/mol |
| SMILES |
C=1(S(=O)(=O)OCCC#CC=2C(C#CCCCCCC)=CC=CC2)C=CC(=CC1)C |
![3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate](/api/spectrum/BlJfudxf9hR/structure.png?h=300&w=458 "3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate")
