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4-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID 2461zzoqjCi
InChI InChI=1S/C14H14IN3O3/c1-2-21-14(20)10-3-5-12(6-4-10)17-13(19)9-18-8-11(15)7-16-18/h3-8H,2,9H2,1H3,(H,17,19)
InChIKey SYPHJRMMJXBPQG-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 43cSKkyjP21
Name 4-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester
Alternate Name(s) 4-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]benzoate Ethyl 4-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoate Ethyl 4-{[(4-iodo-1H-pyrazol-1-yl)acetyl]amino}benzoate
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Formula C14H14IN3O3
InChI InChI=1S/C14H14IN3O3/c1-2-21-14(20)10-3-5-12(6-4-10)17-13(19)9-18-8-11(15)7-16-18/h3-8H,2,9H2,1H3,(H,17,19)
InChIKey SYPHJRMMJXBPQG-UHFFFAOYSA-N
Molecular Weight 399.188 g/mol
SMILES N(c1ccc(cc1)C(OCC)=O)C(=O)C[n]1ncc(c1)I
SPLASH splash10-0a4i-9361000000-064067628d5290c7ba0d
Wiley ID 1449563