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2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, diethyl ester
SpectraBase Compound ID BIXoS8Kv4Hd
InChI InChI=1S/C18H22N4O7S/c1-4-28-17(24)14-11(3)15(18(25)29-5-2)30-16(14)20-13(23)7-6-8-21-10-12(9-19-21)22(26)27/h9-10H,4-8H2,1-3H3,(H,20,23)
InChIKey LDJXOKYGPKHWRX-UHFFFAOYSA-N
Mol Weight 438.46 g/mol
Molecular Formula C18H22N4O7S
Exact Mass 438.12092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98zbuzjeFT5
Name 2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, diethyl ester
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Formula C18H22N4O7S
InChI InChI=1S/C18H22N4O7S/c1-4-28-17(24)14-11(3)15(18(25)29-5-2)30-16(14)20-13(23)7-6-8-21-10-12(9-19-21)22(26)27/h9-10H,4-8H2,1-3H3,(H,20,23)
InChIKey LDJXOKYGPKHWRX-UHFFFAOYSA-N
Molecular Weight 438.455 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(=O)CCC[n]1cc(N(=O)=O)cn1
SPLASH splash10-00lu-9600000000-22e3abf5fa26d5ad1ff6
Source of Spectrum IY-1-4682-3
Synonyms 3-Methyl-5-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Diethyl 3-methyl-5-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate
Wiley ID 1654806