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methyl 5-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}-2-furoate

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methyl 5-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}-2-furoate
SpectraBase Compound ID JWJfC3k3kKD
InChI InChI=1S/C23H18Br2N2O3/c1-14-21(15-3-7-17(24)8-4-15)26-27(22(14)16-5-9-18(25)10-6-16)13-19-11-12-20(30-19)23(28)29-2/h3-12H,13H2,1-2H3
InChIKey CAYOCNCKFSMXSX-UHFFFAOYSA-N
Mol Weight 530.22 g/mol
Molecular Formula C23H18Br2N2O3
Exact Mass 527.968418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTal040wskQ
Name Methyl 5-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}-2-furoate
Comments Computed using HOSE algorithm
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Exact Mass 527.968418445 u
Formula C23H18Br2N2O3
InChI InChI=1S/C23H18Br2N2O3/c1-14-21(15-3-7-17(24)8-4-15)26-27(22(14)16-5-9-18(25)10-6-16)13-19-11-12-20(30-19)23(28)29-2/h3-12H,13H2,1-2H3
InChIKey CAYOCNCKFSMXSX-UHFFFAOYSA-N
Molecular Weight 530.216 g/mol
SMILES COC(C1=CC=C(O1)CN1N=C(C2=CC=C(C=C2)Br)C(=C1C=1C=CC(Br)=CC1)C)=O