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4,4-Butano-2-cyclohexyl-3-phenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID 9D72uPHBAhR
InChI InChI=1S/C18H25NO2S/c20-22(21)18(13-7-8-14-18)17(15-9-3-1-4-10-15)19(22)16-11-5-2-6-12-16/h1,3-4,9-10,16-17H,2,5-8,11-14H2
InChIKey YPSVGYONEJBHEA-UHFFFAOYSA-N
Mol Weight 319.46 g/mol
Molecular Formula C18H25NO2S
Exact Mass 319.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HM9hXeLahND
Name 4,4-Butano-2-cyclohexyl-3-phenyl-1,2-thiazetidine 1,1-dioxide
Alternate Name(s) 2-cyclohexyl-3-phenyl-1-thia-2-azaspiro[3.4]octane 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO2S
InChI InChI=1S/C18H25NO2S/c20-22(21)18(13-7-8-14-18)17(15-9-3-1-4-10-15)19(22)16-11-5-2-6-12-16/h1,3-4,9-10,16-17H,2,5-8,11-14H2
InChIKey YPSVGYONEJBHEA-UHFFFAOYSA-N
Molecular Weight 319.463 g/mol
SMILES C12(S(N(C2c2ccccc2)C2CCCCC2)(=O)=O)CCCC1
SPLASH splash10-0a4i-0902000000-1d2ac2c9dd8f309a31c3
Source of Spectrum F-54-8963-7
Wiley ID 807910