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(3aS*,7aR*)-Octahydro-3-(2,2-dimethylpropylidene)-1-[(4-methylphenyl)sulfonyl]-2H-indol-2-one
SpectraBase Compound ID LN4IxTbyO23
InChI InChI=1S/C20H27NO3S/c1-14-9-11-15(12-10-14)25(23,24)21-18-8-6-5-7-16(18)17(19(21)22)13-20(2,3)4/h9-13,16,18H,5-8H2,1-4H3/b17-13-/t16-,18+/m0/s1
InChIKey WNMGORASTFSNNJ-GHASCFNCSA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhV5pV0RUrx
Name (3aS*,7aR*)-Octahydro-3-(2,2-dimethylpropylidene)-1-[(4-methylphenyl)sulfonyl]-2H-indol-2-one
Alternate Name(s) (3aR*,7aR*)-Octahydro-3-(2,2-dimethylpropylidene)-1-[(4-methylphenyl)sulfonyl]-2H-indol-2-one (3Z,3aS,7aR)-3-(2,2-dimethylpropylidene)-1-[(4-methylphenyl)sulfonyl]octahydro-2H-indol-2-one (3Z,3aS,7aR)-3-(2,2-dimethylpropylidene)-1-(p-tolylsulfonyl)-3a,4,5,6,7,7a-hexahydroindol-2-one (3Z,3aS,7aR)-3-(2,2-dimethylpropylidene)-1-(4-methylphenyl)sulfonyl-3a,4,5,6,7,7a-hexahydroindol-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-14-9-11-15(12-10-14)25(23,24)21-18-8-6-5-7-16(18)17(19(21)22)13-20(2,3)4/h9-13,16,18H,5-8H2,1-4H3/b17-13-/t16-,18+/m0/s1
InChIKey WNMGORASTFSNNJ-GHASCFNCSA-N
Molecular Weight 361.500 g/mol
SMILES c1(S(N2C(\C(=C/C(C)(C)C)[C@]3([C@]2(CCCC3)[H])[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-21839734ba5b9bb110b9
Source of Spectrum J-66-173-28
Wiley ID 1534175