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N-(4-benzhydryl-1-piperazinyl)-N-[(Z)-1-(4-bromophenyl)ethylidene]amine
SpectraBase Compound ID ypUzGw2XWK
InChI InChI=1S/C25H26BrN3/c1-20(21-12-14-24(26)15-13-21)27-29-18-16-28(17-19-29)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-19H2,1H3/b27-20-
InChIKey HNMUYMVHDZBDQL-OOAXWGSJSA-N
Mol Weight 448.41 g/mol
Molecular Formula C25H26BrN3
Exact Mass 447.131011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELob8ENODrs
Name N-(4-Benzhydryl-1-piperazinyl)-N-[(Z)-1-(4-bromophenyl)ethylidene]amine
Comments Computed using HOSE algorithm
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Exact Mass 447.131010849 u
Formula C25H26BrN3
InChI InChI=1S/C25H26BrN3/c1-20(21-12-14-24(26)15-13-21)27-29-18-16-28(17-19-29)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-19H2,1H3/b27-20-
InChIKey HNMUYMVHDZBDQL-OOAXWGSJSA-N
Molecular Weight 448.408 g/mol
SMILES C1=CC=C(C(N2CCN(\N=C/(C=3C=CC(=CC3)Br)C)CC2)C2=CC=CC=C2)C=C1