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4-Imidazolidinecarboxylic acid, 3-cyclohexyl-1,2-diphenyl-5-thioxo-, methyl ester, trans-
SpectraBase Compound ID HXR0uLjI4m
InChI InChI=1S/C23H26N2O2S/c1-27-23(26)20-22(28)25(19-15-9-4-10-16-19)21(17-11-5-2-6-12-17)24(20)18-13-7-3-8-14-18/h2,4-6,9-12,15-16,18,20-21H,3,7-8,13-14H2,1H3/t20-,21-/m0/s1
InChIKey AIUYQCQQLKXYMD-SFTDATJTSA-N
Mol Weight 394.53 g/mol
Molecular Formula C23H26N2O2S
Exact Mass 394.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnMy42lX2PG
Name 4-Imidazolidinecarboxylic acid, 3-cyclohexyl-1,2-diphenyl-5-thioxo-, methyl ester, trans-
CAS Registry Number 68196-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O2S
InChI InChI=1S/C23H26N2O2S/c1-27-23(26)20-22(28)25(19-15-9-4-10-16-19)21(17-11-5-2-6-12-17)24(20)18-13-7-3-8-14-18/h2,4-6,9-12,15-16,18,20-21H,3,7-8,13-14H2,1H3/t20-,21-/m0/s1
InChIKey AIUYQCQQLKXYMD-SFTDATJTSA-N
Molecular Weight 394.533 g/mol
SMILES C1(N([C@](N([C@@]1(C(=O)OC)[H])C1CCCCC1)(c1ccccc1)[H])c1ccccc1)=S
SPLASH splash10-0f79-5935000000-76718cd54bc6fa14136d
Source of Spectrum F-34-1160-0
Synonyms 1-Cyclohexyl-2.alpha.,3-diphenyl-5.beta.-methoxycarbonyl-4-thioimidazolidone Methyl (2S,4R)-3-cyclohexyl-1,2-diphenyl-5-thioxo-4-imidazolidinecarboxylate
Wiley ID 1366707