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Methanone, (3-cyclohexyl-1,2-diphenyl-5-thioxo-4-imidazolidinyl)phenyl-, trans-
SpectraBase Compound ID 2RRUMzNQnZt
InChI InChI=1S/C28H28N2OS/c31-26(21-13-5-1-6-14-21)25-28(32)30(24-19-11-4-12-20-24)27(22-15-7-2-8-16-22)29(25)23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23,25,27H,3,9-10,17-18H2/t25-,27+/m1/s1
InChIKey MYWCIFVAHPTMPC-VPUSJEBWSA-N
Mol Weight 440.61 g/mol
Molecular Formula C28H28N2OS
Exact Mass 440.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VOxPs1eKLy
Name Methanone, (3-cyclohexyl-1,2-diphenyl-5-thioxo-4-imidazolidinyl)phenyl-, trans-
Alternate Name(s) (2R,5R)-1(n)-cyclohexyl-(trans)-2,3(n)-diphenyl-5-benzoyl-2,5-dihydro-4-thioxoimidazole (2R,5R)-1(n)-cyclohexyl-(trans)-2,3(n)-diphenyl-5-phenylhydroxymethylene-2,5-dihydro-4-thioxxoimidazole [(2S,4R)-3-cyclohexyl-1,2-diphenyl-5-thioxoimidazolidinyl](phenyl)methanone
CAS Registry Number 117835-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2OS
InChI InChI=1S/C28H28N2OS/c31-26(21-13-5-1-6-14-21)25-28(32)30(24-19-11-4-12-20-24)27(22-15-7-2-8-16-22)29(25)23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23,25,27H,3,9-10,17-18H2/t25-,27+/m1/s1
InChIKey MYWCIFVAHPTMPC-VPUSJEBWSA-N
Molecular Weight 440.605 g/mol
SMILES C1(N([C@](N([C@@]1(C(=O)c1ccccc1)[H])C1CCCCC1)(c1ccccc1)[H])c1ccccc1)=S
SPLASH splash10-0a4r-0849300000-05070a629387628c9576
Source of Spectrum F-44-1125-10
Wiley ID 1384825