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trans-2-Cyclohexyl-3-(4-cyanophenyl)-4-phenyl-1,2-thiazetizine 1,1-dioxide
SpectraBase Compound ID JYAWEYUjBmK
InChI InChI=1S/C21H22N2O2S/c22-15-16-11-13-17(14-12-16)20-21(18-7-3-1-4-8-18)26(24,25)23(20)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-21H,2,5-6,9-10H2/t20-,21-/m0/s1
InChIKey WCVWIDDRDGEQBL-SFTDATJTSA-N
Mol Weight 366.48 g/mol
Molecular Formula C21H22N2O2S
Exact Mass 366.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kq8asuRZDdG
Name trans-2-Cyclohexyl-3-(4-cyanophenyl)-4-phenyl-1,2-thiazetizine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C21H22N2O2S
InChI InChI=1S/C21H22N2O2S/c22-15-16-11-13-17(14-12-16)20-21(18-7-3-1-4-8-18)26(24,25)23(20)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-21H,2,5-6,9-10H2/t20-,21-/m0/s1
InChIKey WCVWIDDRDGEQBL-SFTDATJTSA-N
Molecular Weight 366.479 g/mol
SMILES C1(N2S([C@]([C@@]2(c2ccc(C#N)cc2)[H])(c2ccccc2)[H])(=O)=O)CCCCC1
SPLASH splash10-014i-0029000000-3c62a9cfe61a323cb782
Source of Spectrum F-54-8958-10
Synonyms 4-[(3S,4S)-2-cyclohexyl-1,1-dioxido-4-phenyl-1,2-thiazetidin-3-yl]benzonitrile
Wiley ID 807927