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Methyl 3-(Phenylthio)-4-(2',5',6'-tris(mthoxycarbonyl)-5-oxocyclohexyl)but-2(Z)-enoate
SpectraBase Compound ID L6rhmwqlYL0
InChI InChI=1S/C23H26O9S/c1-29-18(25)13-15(33-14-8-6-5-7-9-14)12-16-19(20(26)30-2)17(24)10-11-23(16,21(27)31-3)22(28)32-4/h5-9,13,16,19H,10-12H2,1-4H3/b15-13-
InChIKey LRFPOZYZLVPAJS-SQFISAMPSA-N
Mol Weight 478.51 g/mol
Molecular Formula C23H26O9S
Exact Mass 478.129754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR1IEdszjnW
Name Methyl 3-(Phenylthio)-4-(2',5',6'-tris(mthoxycarbonyl)-5-oxocyclohexyl)but-2(Z)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O9S
InChI InChI=1S/C23H26O9S/c1-29-18(25)13-15(33-14-8-6-5-7-9-14)12-16-19(20(26)30-2)17(24)10-11-23(16,21(27)31-3)22(28)32-4/h5-9,13,16,19H,10-12H2,1-4H3/b15-13-
InChIKey LRFPOZYZLVPAJS-SQFISAMPSA-N
Molecular Weight 478.512 g/mol
SMILES C1(C(C(C(=O)OC)C(CC1)=O)C\C(=C\C(=O)OC)Sc1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-00dr-0090000000-8b5c80ed3f93a821e1d5
Source of Spectrum J-59-6715-12
Synonyms Methyl 3-(Phenylthio)-4-(2',5',6'-tris(methoxycarbonyl)-5-oxocyclohexyl)but-2(Z)-enoate Trimethyl 2-[(2Z)-4-methoxy-4-oxo-2-(phenylsulfanyl)-2-butenyl]-4-oxo-1,1,3-cyclohexanetricarboxylate
Wiley ID 1394677