| SpectraBase Spectrum ID |
2dsduWHM6su |
| Name |
Methyl 3-(Phenylthio)-4-(2',2',6'-tris(ethoxycarbonyl)-5-oxocyclohexyl)but-2(Z)-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32O9S |
| InChI |
InChI=1S/C26H32O9S/c1-5-33-23(29)22-19(15-18(16-21(28)32-4)36-17-11-9-8-10-12-17)26(14-13-20(22)27,24(30)34-6-2)25(31)35-7-3/h8-12,16,19,22H,5-7,13-15H2,1-4H3/b18-16- |
| InChIKey |
CSCBFVFGEGADJN-VLGSPTGOSA-N |
| Molecular Weight |
520.593 g/mol |
| SMILES |
C1(C(C(C(=O)OCC)C(CC1)=O)C\C(=C\C(=O)OC)Sc1ccccc1)(C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-03di-0339010000-bbfd8942c98f84221b2c |
| Source of Spectrum |
J-59-6714-11 |
| Synonyms |
Triethyl 2-[(2Z)-4-methoxy-4-oxo-2-(phenylsulfanyl)-2-butenyl]-4-oxo-1,1,3-cyclohexanetricarboxylate |
| Wiley ID |
1401922 |
