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trans-6-Benzenesulfonyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-one
SpectraBase Compound ID HVAwwqsbtZT
InChI InChI=1S/C16H18O3S/c17-16-8-4-5-12-11-14(9-10-15(12)16)20(18,19)13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10H2/t12-,15-/m0/s1
InChIKey SGHKRJWQJSNCLX-WFASDCNBSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NTVh5ywRvE
Name trans-6-Benzenesulfonyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-one
Alternate Name(s) (4aR,8aS)-6-(phenylsulfonyl)-3,4,4a,7,8,8a-hexahydro-1(2H)-naphthalenone trans-6-Phenylthio-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-one
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Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c17-16-8-4-5-12-11-14(9-10-15(12)16)20(18,19)13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10H2/t12-,15-/m0/s1
InChIKey SGHKRJWQJSNCLX-WFASDCNBSA-N
Molecular Weight 290.377 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=C[C@@]2(CCCC([C@]2(CC1)[H])=O)[H]
SPLASH splash10-0002-4900000000-3748cf5e1122bfe83242
Source of Spectrum QA-44-378-10
Wiley ID 862544