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{3-[3-(2-Benzoylhydrazinyl)quinoxalin-2-yl]-4-iodo-1-phenyl-1H-pyrazol-5-yl}methyl acetate
SpectraBase Compound ID Kgwihgzuj4D
InChI InChI=1S/C27H21IN6O3/c1-17(35)37-16-22-23(28)24(33-34(22)19-12-6-3-7-13-19)25-26(30-21-15-9-8-14-20(21)29-25)31-32-27(36)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,30,31)(H,32,36)
InChIKey VKPXOUJJEFUSTB-UHFFFAOYSA-N
Mol Weight 604.41 g/mol
Molecular Formula C27H21IN6O3
Exact Mass 604.071984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcOadf3Weso
Name {3-[3-(2-Benzoylhydrazinyl)quinoxalin-2-yl]-4-iodo-1-phenyl-1H-pyrazol-5-yl}methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21IN6O3
InChI InChI=1S/C27H21IN6O3/c1-17(35)37-16-22-23(28)24(33-34(22)19-12-6-3-7-13-19)25-26(30-21-15-9-8-14-20(21)29-25)31-32-27(36)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,30,31)(H,32,36)
InChIKey VKPXOUJJEFUSTB-UHFFFAOYSA-N
Molecular Weight 604.408 g/mol
SMILES N(c1c(-c2n[n](-c3ccccc3)c(c2I)COC(=O)C)nc2c(cccc2)n1)NC(=O)c1ccccc1
SPLASH splash10-056r-9005200000-a247bebc90eb1acf63af
Source of Spectrum Y-48-1222-10b
Wiley ID 1704562