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cis-3-(4-Chlorophenyl)-2-cyclohexyl-4-methyl-4-phenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID DaoHMarzjMS
InChI InChI=1S/C21H24ClNO2S/c1-21(17-8-4-2-5-9-17)20(16-12-14-18(22)15-13-16)23(26(21,24)25)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3/t20-,21+/m1/s1
InChIKey BAZFCAWLCVNZMG-RTWAWAEBSA-N
Mol Weight 389.94 g/mol
Molecular Formula C21H24ClNO2S
Exact Mass 389.121628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kzQ7Pibke7
Name cis-3-(4-Chlorophenyl)-2-cyclohexyl-4-methyl-4-phenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C21H24ClNO2S
InChI InChI=1S/C21H24ClNO2S/c1-21(17-8-4-2-5-9-17)20(16-12-14-18(22)15-13-16)23(26(21,24)25)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3/t20-,21+/m1/s1
InChIKey BAZFCAWLCVNZMG-RTWAWAEBSA-N
Molecular Weight 389.941 g/mol
SMILES [C@]1(N(S([C@]1(c1ccccc1)C)(=O)=O)C1CCCCC1)(c1ccc(cc1)Cl)[H]
SPLASH splash10-0006-0094000000-1cb87a913de503638c5f
Source of Spectrum F-54-8962-6
Synonyms (3R,4S)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-4-phenyl-1,2-thiazetidine 1,1-dioxide
Wiley ID 807913