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trans-2-Cyclohexyl-3-phenyl-4-(4-methylphenyl)-1,2-thiazetizine 1,1-dioxide
SpectraBase Compound ID CpxqLGP2sLr
InChI InChI=1S/C21H25NO2S/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(25(21,23)24)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19-21H,3,6-7,10-11H2,1H3/t20-,21-/m0/s1
InChIKey ATFMHVZCHQZVJN-SFTDATJTSA-N
Mol Weight 355.5 g/mol
Molecular Formula C21H25NO2S
Exact Mass 355.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLivVmY2Klw
Name trans-2-Cyclohexyl-3-phenyl-4-(4-methylphenyl)-1,2-thiazetizine 1,1-dioxide
Alternate Name(s) (3S,4S)-2-cyclohexyl-4-(4-methylphenyl)-3-phenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO2S
InChI InChI=1S/C21H25NO2S/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(25(21,23)24)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19-21H,3,6-7,10-11H2,1H3/t20-,21-/m0/s1
InChIKey ATFMHVZCHQZVJN-SFTDATJTSA-N
Molecular Weight 355.496 g/mol
SMILES C1(N2S([C@]([C@@]2(c2ccccc2)[H])(c2ccc(cc2)C)[H])(=O)=O)CCCCC1
SPLASH splash10-0a4i-0092000000-1f66a233a3cb90eb674d
Source of Spectrum F-54-8954-1
Wiley ID 807949