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DUJBCNNYAXTAFD-UHFFFAOYSA-N
SpectraBase Compound ID 5Zt4BPVjwlU
InChI InChI=1S/C14H22O5S2/c1-13(2)20-9-10(15)14(21-13,12(17)19-4)8-6-5-7-11(16)18-3/h5-9H2,1-4H3
InChIKey DUJBCNNYAXTAFD-UHFFFAOYSA-N
Mol Weight 334.45 g/mol
Molecular Formula C14H22O5S2
Exact Mass 334.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FdzMyp4z2
Name 4-(5-Methoxy-5-oxopentyl)-2,2-dimethyl-5-oxo-1,3-dithiane-4-carboxylic acid methyl ester
Alternate Name(s) 5-keto-4-(5-keto-5-methoxy-pentyl)-2,2-dimethyl-1,3-dithiane-4-carboxylic acid methyl ester Methyl 4-(5-methoxy-5-oxidanylidene-pentyl)-2,2-dimethyl-5-oxidanylidene-1,3-dithiane-4-carboxylate Methyl 4-(5-methoxy-5-oxo-pentyl)-2,2-dimethyl-5-oxo-1,3-dithiane-4-carboxylate
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Formula C14H22O5S2
InChI InChI=1S/C14H22O5S2/c1-13(2)20-9-10(15)14(21-13,12(17)19-4)8-6-5-7-11(16)18-3/h5-9H2,1-4H3
InChIKey DUJBCNNYAXTAFD-UHFFFAOYSA-N
Molecular Weight 334.445 g/mol
SMILES C1(SC(C)(C)SCC1=O)(C(=O)OC)CCCCC(=O)OC
SPLASH splash10-0101-5910000000-25cd458382dfc8b92a2a
Source of Spectrum HE-2005-1132-8
Wiley ID 1613663