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N-Benzyl-N'-(1-benzylamino-2,2,2-trichloroethyl)-p-tolylcarboxamidine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-Benzyl-N'-(1-benzylamino-2,2,2-trichloroethyl)-p-tolylcarboxamidine
SpectraBase Compound ID 5qs3ORpHvcY
InChI InChI=1S/C24H24Cl3N3/c1-18-12-14-21(15-13-18)22(28-16-19-8-4-2-5-9-19)30-23(24(25,26)27)29-17-20-10-6-3-7-11-20/h2-15,23,29H,16-17H2,1H3,(H,28,30)
InChIKey LWPWZMIJWLSRLL-UHFFFAOYSA-N
Mol Weight 460.84 g/mol
Molecular Formula C24H24Cl3N3
Exact Mass 459.103581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCNIh6J4xcn
Name N-Benzyl-N'-(1-benzylamino-2,2,2-trichloroethyl)-p-tolylcarboxamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.103580885 u
Formula C24H24Cl3N3
InChI InChI=1S/C24H24Cl3N3/c1-18-12-14-21(15-13-18)22(28-16-19-8-4-2-5-9-19)30-23(24(25,26)27)29-17-20-10-6-3-7-11-20/h2-15,23,29H,16-17H2,1H3,(H,28,30)
InChIKey LWPWZMIJWLSRLL-UHFFFAOYSA-N
Molecular Weight 460.836 g/mol
SMILES C(C(Cl)(Cl)Cl)(\N=C\(NCC1=CC=CC=C1)C1=CC=C(C=C1)C)NCC1=CC=CC=C1