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cis-2-Cyclohexyl-4-(3-methyl-3-butenyl)-3-(4-methylphenyl)-4-phenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID 1tDRz7xzqSV
InChI InChI=1S/C26H33NO2S/c1-20(2)18-19-26(23-10-6-4-7-11-23)25(22-16-14-21(3)15-17-22)27(30(26,28)29)24-12-8-5-9-13-24/h4,6-7,10-11,14-17,24-25H,1,5,8-9,12-13,18-19H2,2-3H3/t25-,26+/m1/s1
InChIKey RKGCWWUKZROZED-FTJBHMTQSA-N
Mol Weight 423.6 g/mol
Molecular Formula C26H33NO2S
Exact Mass 423.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23kbgVv17ol
Name cis-2-Cyclohexyl-4-(3-methyl-3-butenyl)-3-(4-methylphenyl)-4-phenyl-1,2-thiazetidine 1,1-dioxide
Alternate Name(s) (3R,4S)-2-cyclohexyl-4-(3-methyl-3-butenyl)-3-(4-methylphenyl)-4-phenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C26H33NO2S
InChI InChI=1S/C26H33NO2S/c1-20(2)18-19-26(23-10-6-4-7-11-23)25(22-16-14-21(3)15-17-22)27(30(26,28)29)24-12-8-5-9-13-24/h4,6-7,10-11,14-17,24-25H,1,5,8-9,12-13,18-19H2,2-3H3/t25-,26+/m1/s1
InChIKey RKGCWWUKZROZED-FTJBHMTQSA-N
Molecular Weight 423.615 g/mol
SMILES [C@]1(N(S([C@]1(c1ccccc1)CCC(=C)C)(=O)=O)C1CCCCC1)(c1ccc(cc1)C)[H]
SPLASH splash10-0udi-0090000000-cf9c262fe86414f5f66d
Source of Spectrum F-54-8969-15
Wiley ID 808175