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3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, ethyl ester
SpectraBase Compound ID L6ndCY6mvNA
InChI InChI=1S/C16H20N4O5S/c1-4-25-16(22)14-10(2)11(3)26-15(14)18-13(21)6-5-7-19-9-12(8-17-19)20(23)24/h8-9H,4-7H2,1-3H3,(H,18,21)
InChIKey PORZCIYZIBPBIL-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C16H20N4O5S
Exact Mass 380.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 786zVaLnKak
Name 3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, ethyl ester
Alternate Name(s) 4,5-Dimethyl-2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N4O5S
InChI InChI=1S/C16H20N4O5S/c1-4-25-16(22)14-10(2)11(3)26-15(14)18-13(21)6-5-7-19-9-12(8-17-19)20(23)24/h8-9H,4-7H2,1-3H3,(H,18,21)
InChIKey PORZCIYZIBPBIL-UHFFFAOYSA-N
Molecular Weight 380.419 g/mol
SMILES N(c1c(c(C)c(s1)C)C(=O)OCC)C(=O)CCC[n]1cc(N(=O)=O)cn1
SPLASH splash10-001i-5901000000-15f11129d80c3d996008
Source of Spectrum IY-1-4495-0
Wiley ID 1652933