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(2R,3S,4S)-4-(Dimethylamino)-6-(2'-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid
SpectraBase Compound ID FXY41CK3tn
InChI InChI=1S/C13H15NO4S2/c1-14(2)7-6-9(8-4-3-5-19-8)20-11(13(17)18)10(7)12(15)16/h3-7,10-11H,1-2H3,(H,15,16)(H,17,18)/t7-,10-,11-/m1/s1
InChIKey COVKKHFCGVFZCM-AVPPRXQKSA-N
Mol Weight 313.39 g/mol
Molecular Formula C13H15NO4S2
Exact Mass 313.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90fL77sYJOg
Name (2R,3S,4S)-4-(Dimethylamino)-6-(2'-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid
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Formula C13H15NO4S2
InChI InChI=1S/C13H15NO4S2/c1-14(2)7-6-9(8-4-3-5-19-8)20-11(13(17)18)10(7)12(15)16/h3-7,10-11H,1-2H3,(H,15,16)(H,17,18)/t7-,10-,11-/m1/s1
InChIKey COVKKHFCGVFZCM-AVPPRXQKSA-N
Molecular Weight 313.386 g/mol
SMILES OC([C@]1([C@](C(=O)O)([C@@](C=C(S1)c1sccc1)(N(C)C)[H])[H])[H])=O
SPLASH splash10-004i-1910000000-5c66e8da49c6e86835b4
Source of Spectrum AH-132-955-13
Synonyms (3RS)-4-(Dimethylamino)-6-(2'-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid 2,6-anhydro-3-carboxy-3,4,5-trideoxy-4-(dimethylamino)-6-(2-thienyl)-2-thio-D-ribo-hex-5-enonic acid (2R,3S,4S)-4-(dimethylamino)-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid
Wiley ID 849853