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3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-, ethyl ester
SpectraBase Compound ID FuEjr9TVEuS
InChI InChI=1S/C16H18N4O6S/c1-5-26-16(23)12-8(2)13(10(4)21)27-15(12)18-14(22)9(3)19-7-11(6-17-19)20(24)25/h6-7,9H,5H2,1-4H3,(H,18,22)
InChIKey OZSLUUQIBADTBR-UHFFFAOYSA-N
Mol Weight 394.4 g/mol
Molecular Formula C16H18N4O6S
Exact Mass 394.094705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UyOZ0DALHQ
Name 3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-, ethyl ester
Alternate Name(s) 5-Acetyl-4-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 5-acetyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Ethyl 5-ethanoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate
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Formula C16H18N4O6S
InChI InChI=1S/C16H18N4O6S/c1-5-26-16(23)12-8(2)13(10(4)21)27-15(12)18-14(22)9(3)19-7-11(6-17-19)20(24)25/h6-7,9H,5H2,1-4H3,(H,18,22)
InChIKey OZSLUUQIBADTBR-UHFFFAOYSA-N
Molecular Weight 394.402 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)C)C(=O)OCC)C(C([n]1cc(N(=O)=O)cn1)C)=O
SPLASH splash10-0006-9752000000-1a5c0c9281bf95cc9dde
Source of Spectrum IY-1-4530-0
Wiley ID 1653283