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1H-Pyrazole-1-acetic acid, 3-[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID HeuCmqTnqtH
InChI InChI=1S/C12H14IN5O3/c1-2-21-12(20)8-17-4-3-10(16-17)15-11(19)7-18-6-9(13)5-14-18/h3-6H,2,7-8H2,1H3,(H,15,16,19)
InChIKey WANNPOCVPMJFOM-UHFFFAOYSA-N
Mol Weight 403.18 g/mol
Molecular Formula C12H14IN5O3
Exact Mass 403.014134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADUlLyuzKe
Name 1H-Pyrazole-1-acetic acid, 3-[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14IN5O3
InChI InChI=1S/C12H14IN5O3/c1-2-21-12(20)8-17-4-3-10(16-17)15-11(19)7-18-6-9(13)5-14-18/h3-6H,2,7-8H2,1H3,(H,15,16,19)
InChIKey WANNPOCVPMJFOM-UHFFFAOYSA-N
Molecular Weight 403.180 g/mol
SMILES N(C(=O)C[n]1cc(cn1)I)c1cc[n](n1)CC(OCC)=O
SPLASH splash10-0k92-5920100000-9da9e0f61ba83c63c719
Source of Spectrum IY-2-5000-5
Synonyms Ethyl 2-{3-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}acetate 2-[3-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[3-[[2-(4-iodopyrazol-1-yl)acetyl]amino]pyrazol-1-yl]acetate Ethyl 2-[3-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]pyrazol-1-yl]ethanoate
Wiley ID 1657988