| SpectraBase Spectrum ID |
6XI4HqcoKHt |
| Name |
Ethyl 3-{(1Z)-1-(4-Cyanophenyl)-2-[(4-methoxyphenyl)thio]penta-1,4-dienyl}benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H25NO3S |
| InChI |
InChI=1S/C28H25NO3S/c1-4-7-26(33-25-16-14-24(31-3)15-17-25)27(21-12-10-20(19-29)11-13-21)22-8-6-9-23(18-22)28(30)32-5-2/h4,6,8-18H,1,5,7H2,2-3H3/b27-26+ |
| InChIKey |
PMXPDGDQWCWKIZ-CYYJNZCTSA-N |
| Molecular Weight |
455.572 g/mol |
| SMILES |
c1(\C(=C/(Sc2ccc(OC)cc2)CC=C)c2ccc(C#N)cc2)cc(C(=O)OCC)ccc1 |
| SPLASH |
splash10-0a4i-0100900000-1793e5d49b6c04963b56 |
| Source of Spectrum |
F4-43-3460-6k |
| Wiley ID |
1713540 |
![Ethyl 3-{(1Z)-1-(4-Cyanophenyl)-2-[(4-methoxyphenyl)thio]penta-1,4-dienyl}benzoate](/api/spectrum/6XI4HqcoKHt/structure.png?h=300&w=458 "Ethyl 3-{(1Z)-1-(4-Cyanophenyl)-2-[(4-methoxyphenyl)thio]penta-1,4-dienyl}benzoate")
