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5-Apin N,N-bis(2-chlorobenzyl)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Apin N,N-bis(2-chlorobenzyl)
SpectraBase Compound ID 53GSuROA2MC
InChI InChI=1S/C25H24Cl2N2/c1-18(14-19-10-11-25-20(15-19)12-13-28-25)29(16-21-6-2-4-8-23(21)26)17-22-7-3-5-9-24(22)27/h2-13,15,18,28H,14,16-17H2,1H3
InChIKey ABFZVPCQMUEIQE-UHFFFAOYSA-N
Mol Weight 423.39 g/mol
Molecular Formula C25H24Cl2N2
Exact Mass 422.131654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GasdRZ1Fez8
Name 5-Apin N,N-bis(2-chlorobenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.131654181 u
Formula C25H24Cl2N2
InChI InChI=1S/C25H24Cl2N2/c1-18(14-19-10-11-25-20(15-19)12-13-28-25)29(16-21-6-2-4-8-23(21)26)17-22-7-3-5-9-24(22)27/h2-13,15,18,28H,14,16-17H2,1H3
InChIKey ABFZVPCQMUEIQE-UHFFFAOYSA-N
Molecular Weight 423.387 g/mol
SMILES C12=C(NC=C2)C=CC(=C1)CC(N(CC1=C(C=CC=C1)Cl)CC=1C(=CC=CC1)Cl)C