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Benzoic acid, 4-[[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
SpectraBase Compound ID LBQJZf3S4Gl
InChI InChI=1S/C14H14IN3O3/c1-21-14(20)11-4-2-10(3-5-11)6-16-13(19)9-18-8-12(15)7-17-18/h2-5,7-8H,6,9H2,1H3,(H,16,19)
InChIKey HLHLYBMIPZICOJ-UHFFFAOYSA-N
Mol Weight 399.19 g/mol
Molecular Formula C14H14IN3O3
Exact Mass 399.007986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTu8fm4Bs6h
Name Benzoic acid, 4-[[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]methyl]-, methyl ester
Alternate Name(s) 4-[[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester Methyl 4-[[[2-(4-iodopyrazol-1-yl)acetyl]amino]methyl]benzoate Methyl 4-[[2-(4-iodanylpyrazol-1-yl)ethanoylamino]methyl]benzoate
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Formula C14H14IN3O3
InChI InChI=1S/C14H14IN3O3/c1-21-14(20)11-4-2-10(3-5-11)6-16-13(19)9-18-8-12(15)7-17-18/h2-5,7-8H,6,9H2,1H3,(H,16,19)
InChIKey HLHLYBMIPZICOJ-UHFFFAOYSA-N
Molecular Weight 399.188 g/mol
SMILES N(C(=O)C[n]1cc(cn1)I)Cc1ccc(cc1)C(OC)=O
SPLASH splash10-0a4j-7940000000-2212413e293b62947e1f
Source of Spectrum IY-1-4654-3
Wiley ID 1654526