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Dimethyl 3-(2-(methylthio(phenylimino)methylthio)propan-2-yl)cyclopentane-1,1-dicarboxylate
SpectraBase Compound ID CADqOMFtos7
InChI InChI=1S/C20H27NO4S2/c1-19(2,27-18(26-5)21-15-9-7-6-8-10-15)14-11-12-20(13-14,16(22)24-3)17(23)25-4/h6-10,14H,11-13H2,1-5H3/b21-18+
InChIKey NJZAWPMTCOBUOE-DYTRJAOYSA-N
Mol Weight 409.56 g/mol
Molecular Formula C20H27NO4S2
Exact Mass 409.138151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CD4gKEkZqsf
Name Dimethyl 3-(2-(methylthio(phenylimino)methylthio)propan-2-yl)cyclopentane-1,1-dicarboxylate
Alternate Name(s) (E)-dimethyl 3-(2-(((methylthio)(phenylimino)methyl)thio)propan-2-yl)cyclopentane-1,1-dicarboxylate
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Formula C20H27NO4S2
InChI InChI=1S/C20H27NO4S2/c1-19(2,27-18(26-5)21-15-9-7-6-8-10-15)14-11-12-20(13-14,16(22)24-3)17(23)25-4/h6-10,14H,11-13H2,1-5H3/b21-18+
InChIKey NJZAWPMTCOBUOE-DYTRJAOYSA-N
Literature Reference DOI 10.1021/ol702832x
Molecular Weight 409.559 g/mol
SMILES C1(C(=O)OC)(CC(C(S\C(SC)=N\c2ccccc2)(C)C)CC1)C(=O)OC
SPLASH splash10-05o0-2900000000-d4d8304207630876bb3b
Source of Spectrum A1-10-985/SM16-22
Wiley ID 1759024