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ethyl 3-[3,5-bis(3-bromophenyl)-1H-pyrazol-1-yl]propanoate

View entire compound with spectra: 2 NMR

ethyl 3-[3,5-bis(3-bromophenyl)-1H-pyrazol-1-yl]propanoate
SpectraBase Compound ID 9c3wH33kaFb
InChI InChI=1S/C20H18Br2N2O2/c1-2-26-20(25)9-10-24-19(15-6-4-8-17(22)12-15)13-18(23-24)14-5-3-7-16(21)11-14/h3-8,11-13H,2,9-10H2,1H3
InChIKey OICBNEKNKIJDAW-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 AZbnemcsBEW
Name Ethyl 3-[3,5-bis(3-bromophenyl)-1H-pyrazol-1-yl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 475.973503826 u
Formula C20H18Br2N2O2
InChI InChI=1S/C20H18Br2N2O2/c1-2-26-20(25)9-10-24-19(15-6-4-8-17(22)12-15)13-18(23-24)14-5-3-7-16(21)11-14/h3-8,11-13H,2,9-10H2,1H3
InChIKey OICBNEKNKIJDAW-UHFFFAOYSA-N
Molecular Weight 478.184 g/mol
SMILES CCOC(CCN1N=C(C=2C=C(Br)C=CC2)C=C1C=1C=C(Br)C=CC1)=O