| SpectraBase Spectrum ID |
DK5gB4kCGOB |
| Name |
[2-Cyclopropyl-4-(4-methoxyphenyl)but-3-yn-2-yl] (p-Tolyl) Sulfide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22OS |
| InChI |
InChI=1S/C21H22OS/c1-16-4-12-20(13-5-16)23-21(2,18-8-9-18)15-14-17-6-10-19(22-3)11-7-17/h4-7,10-13,18H,8-9H2,1-3H3 |
| InChIKey |
GOAXCSPXUPJHQP-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N/5973/Thermo 1300GC-ISQ 7013 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c00333 |
| Molecular Weight |
322.466 g/mol |
| Reported Formula |
C21H22OS |
| SMILES |
C(C#Cc1ccc(cc1)OC)(Sc1ccc(cc1)C)(C)C1CC1 |
| SPLASH |
splash10-00l7-7951000000-d2ebbd0e68e935eb1ade |
| Source of Spectrum |
JOC-86-7084-4ga |
| Thin-Layer Chromatography |
Rf = 0.37 (hexane/EtOAc, 20:1) |
| Wiley ID |
1867714 |
![[2-Cyclopropyl-4-(4-methoxyphenyl)but-3-yn-2-yl] (p-Tolyl) Sulfide](/api/spectrum/DK5gB4kCGOB/structure.png?h=300&w=458 "[2-Cyclopropyl-4-(4-methoxyphenyl)but-3-yn-2-yl] (p-Tolyl) Sulfide")
