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cis-2-Cyclohexyl-3-(4-Bromophenyl)-4-phenyl-1,2-thiazetizine 1,1-dioxide
SpectraBase Compound ID J7ETIFcjvsX
InChI InChI=1S/C20H22BrNO2S/c21-17-13-11-15(12-14-17)19-20(16-7-3-1-4-8-16)25(23,24)22(19)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20H,2,5-6,9-10H2/t19-,20+/m1/s1
InChIKey MGCHMCWVHHHZCV-UXHICEINSA-N
Mol Weight 420.37 g/mol
Molecular Formula C20H22BrNO2S
Exact Mass 419.055463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UJY9dormrB
Name cis-2-Cyclohexyl-3-(4-Bromophenyl)-4-phenyl-1,2-thiazetizine 1,1-dioxide
Alternate Name(s) (3R,4S)-3-(4-bromophenyl)-2-cyclohexyl-4-phenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C20H22BrNO2S
InChI InChI=1S/C20H22BrNO2S/c21-17-13-11-15(12-14-17)19-20(16-7-3-1-4-8-16)25(23,24)22(19)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20H,2,5-6,9-10H2/t19-,20+/m1/s1
InChIKey MGCHMCWVHHHZCV-UXHICEINSA-N
Molecular Weight 420.365 g/mol
SMILES C1(N2S([C@]([C@]2(c2ccc(cc2)Br)[H])(c2ccccc2)[H])(=O)=O)CCCCC1
SPLASH splash10-0a4i-9000200000-53ed7c068ccc37caaf83
Source of Spectrum F-54-8954-1
Wiley ID 807951