| SpectraBase Spectrum ID |
HSjQAih9iPQ |
| Name |
3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate |
| CAS Registry Number |
121221-95-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
c1(S(=O)(=O)OCCC#Cc2c(C#CCCCCCC)cccc2)ccc(cc1)C |
| SPLASH |
splash10-0ftf-2920000000-bce889e893dde12b8118 |
| Source of Spectrum |
KC-1989-481-19 |
| Synonyms |
4-[2-(1-octynyl)phenyl]-3-butynyl 4-methylbenzenesulfonate
4-[2-(oct-1-ynyl)phenyl]but-3-ynyl toluene-p-sulphonate |
| Wiley ID |
1373092 |
![3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate](/api/spectrum/HSjQAih9iPQ/structure.png?h=300&w=458 "3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-, 4-methylbenzenesulfonate")
