| SpectraBase Spectrum ID |
GMDNx0kylFQ |
| Name |
Dimethyl 2-(2-(Phenylthio)-5-phenyl-2,4-pentadienyl)adipate |
| Alternate Name(s) |
Dimethyl 2-[(2Z,4E)-5-phenyl-2-(phenylsulfanyl)-2,4-pentadienyl]hexanedioate |
| CAS Registry Number |
85335-90-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28O4S |
| InChI |
InChI=1S/C25H28O4S/c1-28-24(26)18-10-14-21(25(27)29-2)19-23(30-22-15-7-4-8-16-22)17-9-13-20-11-5-3-6-12-20/h3-9,11-13,15-17,21H,10,14,18-19H2,1-2H3/b13-9+,23-17- |
| InChIKey |
ZCYKIPJDGHBUCY-XFQQPAJCSA-N |
| Molecular Weight |
424.555 g/mol |
| SMILES |
C(C(C\C(Sc1ccccc1)=C\C=C\c1ccccc1)CCCC(=O)OC)(=O)OC |
| SPLASH |
splash10-0006-4900000000-c8a88e9ba7ae3f154f4d |
| Source of Spectrum |
J-50-4262-47 |
| Wiley ID |
1379347 |
