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Benzoic acid, 4-[[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
SpectraBase Compound ID Ku5NKITMQNA
InChI InChI=1S/C14H14N4O5/c1-23-14(20)11-4-2-10(3-5-11)6-15-13(19)9-17-8-12(7-16-17)18(21)22/h2-5,7-8H,6,9H2,1H3,(H,15,19)
InChIKey IYWVADRERRHGBD-UHFFFAOYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C14H14N4O5
Exact Mass 318.09642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA14Fsplc2l
Name Benzoic acid, 4-[[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
Alternate Name(s) Methyl 4-{[2-(4-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate 4-[[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester Methyl 4-[[[2-(4-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate Methyl 4-[[2-(4-nitropyrazol-1-yl)ethanoylamino]methyl]benzoate
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Formula C14H14N4O5
InChI InChI=1S/C14H14N4O5/c1-23-14(20)11-4-2-10(3-5-11)6-15-13(19)9-17-8-12(7-16-17)18(21)22/h2-5,7-8H,6,9H2,1H3,(H,15,19)
InChIKey IYWVADRERRHGBD-UHFFFAOYSA-N
Molecular Weight 318.289 g/mol
SMILES N(C(=O)C[n]1cc(cn1)N(=O)=O)Cc1ccc(cc1)C(OC)=O
SPLASH splash10-0002-3910000000-abf6da2d36d1590d3b64
Source of Spectrum IY-2-5185-3
Wiley ID 1659836