(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 Google Search
Mol Weight	313.43 g/mol
Molecular Formula	C14H19NO3S2
Exact Mass	313.080636 g/mol

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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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	(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
Wiley ID	787486