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cis-2-Cyclohexyl-4-(3-methyl-3-butenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide

View entire compound with spectra: 1 MS (GC)

cis-2-Cyclohexyl-4-(3-methyl-3-butenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID KRVYU5fzo3n
InChI InChI=1S/C25H31NO2S/c1-20(2)18-19-25(22-14-8-4-9-15-22)24(21-12-6-3-7-13-21)26(29(25,27)28)23-16-10-5-11-17-23/h3-4,6-9,12-15,23-24H,1,5,10-11,16-19H2,2H3/t24-,25+/m1/s1
InChIKey IRHRNOIYKDIGAK-RPBOFIJWSA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hj9WURmOqcj
Name cis-2-Cyclohexyl-4-(3-methyl-3-butenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Alternate Name(s) (3R,4S)-2-cyclohexyl-4-(3-methyl-3-butenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-20(2)18-19-25(22-14-8-4-9-15-22)24(21-12-6-3-7-13-21)26(29(25,27)28)23-16-10-5-11-17-23/h3-4,6-9,12-15,23-24H,1,5,10-11,16-19H2,2H3/t24-,25+/m1/s1
InChIKey IRHRNOIYKDIGAK-RPBOFIJWSA-N
Molecular Weight 409.588 g/mol
SMILES [C@]1(N(S([C@]1(c1ccccc1)CCC(=C)C)(=O)=O)C1CCCCC1)(c1ccccc1)[H]
SPLASH splash10-000i-0900000000-cb1d8e497332cf69548a
Source of Spectrum F-54-8968-15
Wiley ID 807893