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5-Acetyl-2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID Lik9pkp0mqr
InChI InChI=1S/C19H24N4O6S/c1-6-29-19(26)15-10(2)17(13(5)24)30-18(15)20-14(25)8-7-9-22-12(4)16(23(27)28)11(3)21-22/h6-9H2,1-5H3,(H,20,25)
InChIKey XOZOBSZFPKORDN-UHFFFAOYSA-N
Mol Weight 436.48 g/mol
Molecular Formula C19H24N4O6S
Exact Mass 436.141656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLzkB6NTwnZ
Name 5-Acetyl-2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 5-Acetyl-2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester Ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Ethyl 5-acetyl-2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N4O6S
InChI InChI=1S/C19H24N4O6S/c1-6-29-19(26)15-10(2)17(13(5)24)30-18(15)20-14(25)8-7-9-22-12(4)16(23(27)28)11(3)21-22/h6-9H2,1-5H3,(H,20,25)
InChIKey XOZOBSZFPKORDN-UHFFFAOYSA-N
Molecular Weight 436.483 g/mol
SMILES N(c1c(c(c(s1)C(C)=O)C)C(OCC)=O)C(=O)CCC[n]1nc(c(c1C)N(=O)=O)C
SPLASH splash10-03di-6790200000-65319b9b75af14de9847
Wiley ID 1512189