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cis-2-Cyclohexyl-3,4-diphenyl-4-(4-methoxyphenethyl)-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID 8meBUNnIDr2
InChI InChI=1S/C29H33NO3S/c1-33-27-19-17-23(18-20-27)21-22-29(25-13-7-3-8-14-25)28(24-11-5-2-6-12-24)30(34(29,31)32)26-15-9-4-10-16-26/h2-3,5-8,11-14,17-20,26,28H,4,9-10,15-16,21-22H2,1H3/t28-,29+/m1/s1
InChIKey NKJMAIYQALBPMF-WDYNHAJCSA-N
Mol Weight 475.6 g/mol
Molecular Formula C29H33NO3S
Exact Mass 475.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq6s9Aa9hAg
Name cis-2-Cyclohexyl-3,4-diphenyl-4-(4-methoxyphenethyl)-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C29H33NO3S
InChI InChI=1S/C29H33NO3S/c1-33-27-19-17-23(18-20-27)21-22-29(25-13-7-3-8-14-25)28(24-11-5-2-6-12-24)30(34(29,31)32)26-15-9-4-10-16-26/h2-3,5-8,11-14,17-20,26,28H,4,9-10,15-16,21-22H2,1H3/t28-,29+/m1/s1
InChIKey NKJMAIYQALBPMF-WDYNHAJCSA-N
Molecular Weight 475.647 g/mol
SMILES [C@]1(S(N([C@@]1(c1ccccc1)[H])C1CCCCC1)(=O)=O)(CCc1ccc(cc1)OC)c1ccccc1
SPLASH splash10-00di-0900000000-b6bf434cb51d78143e33
Source of Spectrum F-54-8972-21
Synonyms (3R,4S)-2-cyclohexyl-4-[2-(4-methoxyphenyl)ethyl]-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide 4-{2-[(3R,4S)-2-cyclohexyl-1,1-dioxido-3,4-diphenyl-1,2-thiazetidin-4-yl]ethyl}phenyl methyl ether
Wiley ID 808162