| SpectraBase Spectrum ID |
55oPXsUkrCV |
| Name |
ethyl 4-[2-[4-[3-(4-ethylphenyl)-1,1-dimethyl-prop-2-ynyl]sulfanylphenyl]ethynyl]benzoate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H28O2S |
| InChI |
InChI=1S/C30H28O2S/c1-5-23-7-9-26(10-8-23)21-22-30(3,4)33-28-19-15-25(16-20-28)12-11-24-13-17-27(18-14-24)29(31)32-6-2/h7-10,13-20H,5-6H2,1-4H3 |
| InChIKey |
LLRSWVOBLZRVIV-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N/5973/Thermo 1300GC-ISQ 7048 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c00333 |
| Molecular Weight |
452.612 g/mol |
| Reported Formula |
C30H28O2S |
| SMILES |
C(C)c1ccc(cc1)C#CC(Sc1ccc(cc1)C#Cc1ccc(cc1)C(OCC)=O)(C)C |
| SPLASH |
splash10-0fk9-0700900000-5e7ae7686f16e47a37ee |
| Source of Spectrum |
JOC-86-7089-14 |
| Thin-Layer Chromatography |
Rf = 0.23 (hexane/ EtOAc, 20:1) |
| Wiley ID |
1867697 |
![ethyl 4-[2-[4-[3-(4-ethylphenyl)-1,1-dimethyl-prop-2-ynyl]sulfanylphenyl]ethynyl]benzoate](/api/spectrum/55oPXsUkrCV/structure.png?h=300&w=458 "ethyl 4-[2-[4-[3-(4-ethylphenyl)-1,1-dimethyl-prop-2-ynyl]sulfanylphenyl]ethynyl]benzoate")
