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1-(2-Bromopropionyl)-4,5-dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
SpectraBase Compound ID CcTSK4VzmIw
InChI InChI=1S/C22H25BrN2O5/c1-13(23)22(26)25-18(16-8-7-15(27-2)11-20(16)29-4)12-17(24-25)14-6-9-19(28-3)21(10-14)30-5/h6-11,13,18H,12H2,1-5H3
InChIKey VLTTVRKTIQTJDZ-UHFFFAOYSA-N
Mol Weight 477.36 g/mol
Molecular Formula C22H25BrN2O5
Exact Mass 476.094685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1cKI0YCPYW
Name 1-(2-Bromopropionyl)-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]-1-propanone 2-Bromo-1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one 2-Bromanyl-1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
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Formula C22H25BrN2O5
InChI InChI=1S/C22H25BrN2O5/c1-13(23)22(26)25-18(16-8-7-15(27-2)11-20(16)29-4)12-17(24-25)14-6-9-19(28-3)21(10-14)30-5/h6-11,13,18H,12H2,1-5H3
InChIKey VLTTVRKTIQTJDZ-UHFFFAOYSA-N
Molecular Weight 477.355 g/mol
SMILES C1(=NN(C(C1)c1c(cc(cc1)OC)OC)C(=O)C(C)Br)c1cc(c(cc1)OC)OC
SPLASH splash10-002f-3509600000-fe7f2a84578e15706a17
Source of Spectrum F2-44-3074-10b
Wiley ID 1716218