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[3-(3-chloroquioxalin-2-yl)-4-iodo-1-phenyl-1H-pyrazol-5-yl]methyl acetate
SpectraBase Compound ID DpUV5LI5oBi
InChI InChI=1S/C20H14ClIN4O2/c1-12(27)28-11-16-17(22)18(25-26(16)13-7-3-2-4-8-13)19-20(21)24-15-10-6-5-9-14(15)23-19/h2-10H,11H2,1H3
InChIKey HSIVMJOHLKNCAN-UHFFFAOYSA-N
Mol Weight 504.72 g/mol
Molecular Formula C20H14ClIN4O2
Exact Mass 503.984998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45nSjgMnlMF
Name [3-(3-chloroquioxalin-2-yl)-4-iodo-1-phenyl-1H-pyrazol-5-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClIN4O2
InChI InChI=1S/C20H14ClIN4O2/c1-12(27)28-11-16-17(22)18(25-26(16)13-7-3-2-4-8-13)19-20(21)24-15-10-6-5-9-14(15)23-19/h2-10H,11H2,1H3
InChIKey HSIVMJOHLKNCAN-UHFFFAOYSA-N
Molecular Weight 504.715 g/mol
SMILES c1(n[n](-c2ccccc2)c(c1I)COC(=O)C)-c1nc2ccccc2nc1Cl
SPLASH splash10-0k9i-0007090000-3fbd11823fae1376ffc2
Source of Spectrum Y-48-1221-9b
Wiley ID 1704564