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2-[(4-keto-4-methoxy-butanoyl)amino]-4-(methoxalylthio)butyric acid methyl ester
SpectraBase Compound ID 7THD789eEgp
InChI InChI=1S/C13H19NO8S/c1-20-10(16)5-4-9(15)14-8(11(17)21-2)6-7-23-13(19)12(18)22-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey XOBQZBZAPGSXHB-UHFFFAOYSA-N
Mol Weight 349.35 g/mol
Molecular Formula C13H19NO8S
Exact Mass 349.083138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UL8kQr8oeL
Name 2-[(4-keto-4-methoxy-butanoyl)amino]-4-(methoxalylthio)butyric acid methyl ester
Alternate Name(s) 2-[(4-methoxy-1,4-dioxobutyl)amino]-4-[(2-methoxy-1,2-dioxoethyl)thio]butanoic acid methyl ester Methyl 2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]-4-(2-methoxy-2-oxidanylidene-ethanoyl)sulfanyl-butanoate Methyl 4-(2-methoxy-2-oxo-acetyl)sulfanyl-2-[(4-methoxy-4-oxo-butanoyl)amino]butanoate
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Formula C13H19NO8S
InChI InChI=1S/C13H19NO8S/c1-20-10(16)5-4-9(15)14-8(11(17)21-2)6-7-23-13(19)12(18)22-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey XOBQZBZAPGSXHB-UHFFFAOYSA-N
Molecular Weight 349.354 g/mol
SMILES N(C(C(=O)OC)CCSC(C(=O)OC)=O)C(=O)CCC(=O)OC
SPLASH splash10-02t9-0790000000-1afe1ae38583a251ef0d
Source of Spectrum K-2001-2029-18
Wiley ID 1579528