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Benzoic acid, 4-[[[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
SpectraBase Compound ID LpylojrMC9p
InChI InChI=1S/C15H16N4O5/c1-10-7-13(19(22)23)17-18(10)9-14(20)16-8-11-3-5-12(6-4-11)15(21)24-2/h3-7H,8-9H2,1-2H3,(H,16,20)
InChIKey SPDTYELATNFFTF-UHFFFAOYSA-N
Mol Weight 332.32 g/mol
Molecular Formula C15H16N4O5
Exact Mass 332.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo818T5f0L1
Name Benzoic acid, 4-[[[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
Alternate Name(s) Methyl 4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate 4-[[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester Methyl 4-[[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate Methyl 4-[[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoate Methyl 4-[[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]methyl]benzoate
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Formula C15H16N4O5
InChI InChI=1S/C15H16N4O5/c1-10-7-13(19(22)23)17-18(10)9-14(20)16-8-11-3-5-12(6-4-11)15(21)24-2/h3-7H,8-9H2,1-2H3,(H,16,20)
InChIKey SPDTYELATNFFTF-UHFFFAOYSA-N
Molecular Weight 332.316 g/mol
SMILES N(C(=O)C[n]1c(cc(n1)N(=O)=O)C)Cc1ccc(cc1)C(OC)=O
SPLASH splash10-00kb-3902000000-7b74af4a3b32f194a5d8
Source of Spectrum IY-2-5006-0
Wiley ID 1658043