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6,8-Dichloro-3-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]coumarin
SpectraBase Compound ID 7EKadg0Mu9V
InChI InChI=1S/C25H16Cl2N2O2/c1-15-7-9-16(10-8-15)22-14-23(29(28-22)19-5-3-2-4-6-19)20-12-17-11-18(26)13-21(27)24(17)31-25(20)30/h2-14H,1H3
InChIKey NJHHMRDHJFRQFB-UHFFFAOYSA-N
Mol Weight 447.32 g/mol
Molecular Formula C25H16Cl2N2O2
Exact Mass 446.058883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mMVQgt2Z5A
Name 6,8-Dichloro-3-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]coumarin
Alternate Name(s) 6,8-Dichloro-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]-2H-chromen-2-one 6,8-Dichloro-3-(1-phenyl-3-(p-tolyl)-1H-pyrazol-5-yl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16Cl2N2O2
InChI InChI=1S/C25H16Cl2N2O2/c1-15-7-9-16(10-8-15)22-14-23(29(28-22)19-5-3-2-4-6-19)20-12-17-11-18(26)13-21(27)24(17)31-25(20)30/h2-14H,1H3
InChIKey NJHHMRDHJFRQFB-UHFFFAOYSA-N
Molecular Weight 447.321 g/mol
SMILES c1([n](-c2ccccc2)nc(-c2ccc(cc2)C)c1)C1=Cc2c(OC1=O)c(cc(c2)Cl)Cl
SPLASH splash10-00r5-0190500000-623e94a5ac08888f8407
Source of Spectrum Y1-41B-366-25
Wiley ID 1744132