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1-(2-Bromoacetyl)-4,5-dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
SpectraBase Compound ID 6QDoMS1N0fL
InChI InChI=1S/C21H23BrN2O5/c1-26-14-6-7-15(19(10-14)28-3)17-11-16(23-24(17)21(25)12-22)13-5-8-18(27-2)20(9-13)29-4/h5-10,17H,11-12H2,1-4H3
InChIKey ADAAPIYMLNRAOL-UHFFFAOYSA-N
Mol Weight 463.33 g/mol
Molecular Formula C21H23BrN2O5
Exact Mass 462.079035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XxInSG1j2y
Name 1-(2-Bromoacetyl)-4,5-dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
Alternate Name(s) 2-Bromo-1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone 2-Bromanyl-1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2O5
InChI InChI=1S/C21H23BrN2O5/c1-26-14-6-7-15(19(10-14)28-3)17-11-16(23-24(17)21(25)12-22)13-5-8-18(27-2)20(9-13)29-4/h5-10,17H,11-12H2,1-4H3
InChIKey ADAAPIYMLNRAOL-UHFFFAOYSA-N
Molecular Weight 463.328 g/mol
SMILES C1(=NN(C(C1)c1c(cc(cc1)OC)OC)C(=O)CBr)c1cc(c(cc1)OC)OC
SPLASH splash10-01ox-3409600000-4245d329b73ac7824eb2
Source of Spectrum F2-44-3073-8b
Wiley ID 1716220