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3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID HqtnmtKYaAr
InChI InChI=1S/C16H18N4O6S/c1-5-26-16(23)13-9(3)14(10(4)21)27-15(13)17-12(22)7-19-8(2)6-11(18-19)20(24)25/h6H,5,7H2,1-4H3,(H,17,22)
InChIKey FPHLLKMPEQGUKC-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 Ea8aGuoDKxC
Name 3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O6S
InChI InChI=1S/C16H18N4O6S/c1-5-26-16(23)13-9(3)14(10(4)21)27-15(13)17-12(22)7-19-8(2)6-11(18-19)20(24)25/h6H,5,7H2,1-4H3,(H,17,22)
InChIKey FPHLLKMPEQGUKC-UHFFFAOYSA-N
Molecular Weight 394.402 g/mol
SMILES N(c1c(c(c(s1)C(C)=O)C)C(OCC)=O)C(=O)C[n]1nc(cc1C)N(=O)=O
SPLASH splash10-052f-9342000000-92d3209773759986d584
Source of Spectrum IY-1-4499-3
Synonyms 5-Acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Ethyl 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Ethyl 5-ethanoyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate
Wiley ID 1652976