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DIHYDROXYCARBOXYLIC-ACID
SpectraBase Compound ID I36B7rPJmlU
InChI InChI=1S/C13H19NO4S/c1-7(4-10-6-19-9(3)14-10)11(15)5-12(16)8(2)13(17)18/h4,6,8,11-12,15-16H,5H2,1-3H3,(H,17,18)/b7-4+
InChIKey DGVOKXGUGFTLRK-QPJJXVBHSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z2DLJSZV2
Name (E)-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)-3,5-bis(oxidanyl)hept-6-enoic acid
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Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-7(4-10-6-19-9(3)14-10)11(15)5-12(16)8(2)13(17)18/h4,6,8,11-12,15-16H,5H2,1-3H3,(H,17,18)/b7-4+
InChIKey DGVOKXGUGFTLRK-QPJJXVBHSA-N
Molecular Weight 285.358 g/mol
SMILES OC(C(C(CC(\C(=C\c1nc(sc1)C)C)O)O)C)=O
SPLASH splash10-052b-9520000000-04b760ae3df23cb77534
Source of Spectrum G4-64-856-41
Synonyms (E)-3,5-dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid (E)-3,5-dihydroxy-2,6-dimethyl-7-(2-methyl-4-thiazolyl)-6-heptenoic acid (E)-3,5-dihydroxy-2,6-dimethyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid
Wiley ID 1609081