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3-Bromo-1-(3-Chloropyridin-2-yl)-N-(2,4-Dichloro-6-(Chloromethyl)Phenyl)-1H-Pyrazole-5-Carboxamide
SpectraBase Compound ID AZ15FYiOGee
InChI InChI=1S/C16H9BrCl4N4O/c17-13-6-12(25(24-13)15-10(20)2-1-3-22-15)16(26)23-14-8(7-18)4-9(19)5-11(14)21/h1-6H,7H2,(H,23,26)
InChIKey GMTILXRRUIQOIN-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C16H9BrCl4N4O
Exact Mass 491.871385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c7XxWLguG
Name 3-Bromo-1-(3-Chloropyridin-2-yl)-N-(2,4-Dichloro-6-(Chloromethyl)Phenyl)-1H-Pyrazole-5-Carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.871384725 u
Formula C16H9BrCl4N4O
InChI InChI=1S/C16H9BrCl4N4O/c17-13-6-12(25(24-13)15-10(20)2-1-3-22-15)16(26)23-14-8(7-18)4-9(19)5-11(14)21/h1-6H,7H2,(H,23,26)
InChIKey GMTILXRRUIQOIN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/bkcs.11122
Molecular Weight 494.991 g/mol
Quality 94
SMILES N(C(C=1N(N=C(Br)C1)C1=NC=CC=C1Cl)=O)C1=C(C=C(C=C1CCl)Cl)Cl
SPLASH splash10-03gr-1790000000-a6ee31644cacc9936540
Source of Spectrum QB-38-576-576-1 (DOI: 10.1002/bkcs.11122)
Wiley ID 1902828