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(3S,4S)-2-cyclohexyl-4-phenyl-3-(2-thienyl)thiazetidine 1,1-dioxide
SpectraBase Compound ID JXfcsTtf3ai
InChI InChI=1S/C18H21NO2S2/c20-23(21)18(14-8-3-1-4-9-14)17(16-12-7-13-22-16)19(23)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15,17-18H,2,5-6,10-11H2/t17-,18+/m1/s1
InChIKey IDCIWGRJXWBPPJ-MSOLQXFVSA-N
Mol Weight 347.49 g/mol
Molecular Formula C18H21NO2S2
Exact Mass 347.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9gviFkBKsP
Name (3S,4S)-2-cyclohexyl-4-phenyl-3-(2-thienyl)thiazetidine 1,1-dioxide
Alternate Name(s) (3S,4S)-2-cyclohexyl-4-phenyl-3-thiophen-2-yl-1,2-thiazetidine 1,1-dioxide (3S,4S)-2-cyclohexyl-4-phenyl-3-thiophen-2-ylthiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO2S2
InChI InChI=1S/C18H21NO2S2/c20-23(21)18(14-8-3-1-4-9-14)17(16-12-7-13-22-16)19(23)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15,17-18H,2,5-6,10-11H2/t17-,18+/m1/s1
InChIKey IDCIWGRJXWBPPJ-MSOLQXFVSA-N
Molecular Weight 347.491 g/mol
SMILES C1(N2S([C@]([C@]2(c2sccc2)[H])(c2ccccc2)[H])(=O)=O)CCCCC1
SPLASH splash10-0udi-0092000000-92b55b5b1abec13db675
Source of Spectrum F-54-5515-6
Wiley ID 807037