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3-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N,N-diethyl-3-oxo-1-propanamine

View entire compound with spectra: 2 NMR

3-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N,N-diethyl-3-oxo-1-propanamine
SpectraBase Compound ID 5SCAsSL2Aea
InChI InChI=1S/C22H25Br2N3O/c1-3-26(4-2)14-13-22(28)27-21(17-7-11-19(24)12-8-17)15-20(25-27)16-5-9-18(23)10-6-16/h5-12,21H,3-4,13-15H2,1-2H3
InChIKey VNENYALQPUMAJD-UHFFFAOYSA-N
Mol Weight 507.27 g/mol
Molecular Formula C22H25Br2N3O
Exact Mass 505.036438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiAl0gU66T3
Name 3-[3,5-bis(4-Bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N,N-diethyl-3-oxo-1-propanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.036438436 u
Formula C22H25Br2N3O
InChI InChI=1S/C22H25Br2N3O/c1-3-26(4-2)14-13-22(28)27-21(17-7-11-19(24)12-8-17)15-20(25-27)16-5-9-18(23)10-6-16/h5-12,21H,3-4,13-15H2,1-2H3
InChIKey VNENYALQPUMAJD-UHFFFAOYSA-N
Molecular Weight 507.270 g/mol
SMILES CCN(CCC(N1N=C(C2=CC=C(C=C2)Br)CC1C1=CC=C(C=C1)Br)=O)CC