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6-[5-(2-acetoxyethyl)-4-methyl-2-thioxo-4-thiazolin-3-yl]hexanoic acid
SpectraBase Compound ID HeeQLmfcXPc
InChI InChI=1S/C14H21NO4S2/c1-10-12(7-9-19-11(2)16)21-14(20)15(10)8-5-3-4-6-13(17)18/h3-9H2,1-2H3,(H,17,18)
InChIKey PCISTZDIEHALOT-UHFFFAOYSA-N
Mol Weight 331.45 g/mol
Molecular Formula C14H21NO4S2
Exact Mass 331.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9T8nHlKGv4a
Name 6-[5-(2-acetoxyethyl)-4-methyl-2-thioxo-4-thiazolin-3-yl]hexanoic acid
Alternate Name(s) 6-[5-(2-acetoxyethyl)-4-methyl-2-thioxo-thiazol-3-yl]hexanoic acid 6-[5-(2-acetyloxyethyl)-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid 6-[5-(2-acetyloxyethyl)-4-methyl-2-sulfanylidene-3-thiazolyl]hexanoic acid
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Formula C14H21NO4S2
InChI InChI=1S/C14H21NO4S2/c1-10-12(7-9-19-11(2)16)21-14(20)15(10)8-5-3-4-6-13(17)18/h3-9H2,1-2H3,(H,17,18)
InChIKey PCISTZDIEHALOT-UHFFFAOYSA-N
Molecular Weight 331.445 g/mol
SMILES OC(CCCCCN1C(SC(CCOC(=O)C)=C1C)=S)=O
SPLASH splash10-0a4i-0963000000-a4fc86e8d8a72ea707d5
Source of Spectrum KC-0-869-26
Wiley ID 783360