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(1S,2S,4R,8R)-2-[bis(methylsulfanyl)methyl]-2,4-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carbonitrile
SpectraBase Compound ID KHaTncP4u8S
InChI InChI=1S/C14H19NO3S2/c1-17-13-6-5-9(7-10(13)8-15)14(18-2,11(13)16)12(19-3)20-4/h5-6,9-10,12H,7H2,1-4H3/t9-,10-,13-,14+/m1/s1
InChIKey RMYOENIAIXIHDK-MHWZDGSBSA-N
Mol Weight 313.43 g/mol
Molecular Formula C14H19NO3S2
Exact Mass 313.080636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXxFmY00W8u
Name (1S,2S,4R,8R)-2-[bis(methylsulfanyl)methyl]-2,4-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carbonitrile
Alternate Name(s) (1S,2S,4R,8R)-2-[bis(methylsulfanyl)methyl]-2,4-dimethoxy-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carbonitrile (1S,2S,4R,8R)-2-[bis(methylthio)methyl]-2,4-dimethoxy-3-oxo-8-bicyclo[2.2.2]oct-5-enecarbonitrile (1S,2S,4R,8R)-2-[bis(methylthio)methyl]-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carbonitrile
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Formula C14H19NO3S2
InChI InChI=1S/C14H19NO3S2/c1-17-13-6-5-9(7-10(13)8-15)14(18-2,11(13)16)12(19-3)20-4/h5-6,9-10,12H,7H2,1-4H3/t9-,10-,13-,14+/m1/s1
InChIKey RMYOENIAIXIHDK-MHWZDGSBSA-N
Molecular Weight 313.430 g/mol
SMILES C1([C@@]([C@@]2(C=C[C@]1([C@](C2)(C#N)[H])OC)[H])(C(SC)SC)OC)=O
SPLASH splash10-0a4i-0940000000-f39b29ccede7da97ef76
Source of Spectrum KC-0-570-21
Wiley ID 787486