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(1R*,2S*,5R*)-7-Cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide
SpectraBase Compound ID BHHxiOisdZ7
InChI InChI=1S/C21H31NO2S/c1-16-9-11-17(12-10-16)21(3)14-13-20(2)15-19(21)22(25(20,23)24)18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-15H2,1-3H3/t19-,20-,21+/m1/s1
InChIKey LEWBQHDOPMRNIY-NJYVYQBISA-N
Mol Weight 361.54 g/mol
Molecular Formula C21H31NO2S
Exact Mass 361.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eFFXG9DNm4
Name (1R*,2S*,5R*)-7-Cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C21H31NO2S
InChI InChI=1S/C21H31NO2S/c1-16-9-11-17(12-10-16)21(3)14-13-20(2)15-19(21)22(25(20,23)24)18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-15H2,1-3H3/t19-,20-,21+/m1/s1
InChIKey LEWBQHDOPMRNIY-NJYVYQBISA-N
Molecular Weight 361.544 g/mol
SMILES [C@]12(N(S([C@](CC[C@]2(c2ccc(cc2)C)C)(C1)C)(=O)=O)C1CCCCC1)[H]
SPLASH splash10-004i-0902000000-6a7499757d4c075a38e0
Source of Spectrum F-54-8970-16
Synonyms (1R,2S,5R)-7-cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6-thia-7-azabicyclo[3.2.1]octane 6,6-dioxide
Wiley ID 808168