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ethyl [3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]acetate

View entire compound with spectra: 2 NMR

ethyl [3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]acetate
SpectraBase Compound ID GCfNClpPTT6
InChI InChI=1S/C20H18Br2N2O2/c1-3-26-18(25)12-24-20(15-6-10-17(22)11-7-15)13(2)19(23-24)14-4-8-16(21)9-5-14/h4-11H,3,12H2,1-2H3
InChIKey UBDIPIFCOJFUPN-UHFFFAOYSA-N
Mol Weight 478.18 g/mol
Molecular Formula C20H18Br2N2O2
Exact Mass 475.973504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oq44qqgN9H
Name Ethyl [3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]acetate
Comments Computed using HOSE algorithm
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Exact Mass 475.973503826 u
Formula C20H18Br2N2O2
InChI InChI=1S/C20H18Br2N2O2/c1-3-26-18(25)12-24-20(15-6-10-17(22)11-7-15)13(2)19(23-24)14-4-8-16(21)9-5-14/h4-11H,3,12H2,1-2H3
InChIKey UBDIPIFCOJFUPN-UHFFFAOYSA-N
Molecular Weight 478.184 g/mol
SMILES CCOC(CN1N=C(C2=CC=C(C=C2)Br)C(=C1C=1C=CC(Br)=CC1)C)=O