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1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, trans-
SpectraBase Compound ID EBvnbL37HU4
InChI InChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2/t17-,18-
InChIKey RZRPZWGIOOZIBE-IYARVYRRSA-N
Mol Weight 391.39 g/mol
Molecular Formula C22H28Cl2N2
Exact Mass 390.162954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GR9Rxys6IzC
Name 1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, trans-
Comments Computed using HOSE algorithm
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Exact Mass 390.162954310 u
Formula C22H28Cl2N2
InChI InChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2/t17-,18-
InChIKey RZRPZWGIOOZIBE-IYARVYRRSA-N
Molecular Weight 391.386 g/mol
SMILES C1(Cl)=C(C=CC=C1)CNC[C@]1([H])CC[C@]([H])(CC1)CNCC1=C(C=CC=C1)Cl