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trans-N-Benzyl-N'-(4-methoxybenzyl)-1,2-cyclohexanediamine
SpectraBase Compound ID FoTGROJ9LJv
InChI InChI=1S/C21H28N2O/c1-24-19-13-11-18(12-14-19)16-23-21-10-6-5-9-20(21)22-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-23H,5-6,9-10,15-16H2,1H3/t20-,21-/m1/s1
InChIKey DBEPZNDLLLPZII-NHCUHLMSSA-N
Mol Weight 324.47 g/mol
Molecular Formula C21H28N2O
Exact Mass 324.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZXS92F02sS
Name trans-N-Benzyl-N'-(4-methoxybenzyl)-1,2-cyclohexanediamine
Alternate Name(s) (1R,2R)-N(1)-benzyl-N(2)-(4-methoxybenzyl)-1,2-cyclohexanediamine N-benzyl-N-{(1R,2R)-2-[(4-methoxybenzyl)amino]cyclohexyl}amine
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Formula C21H28N2O
InChI InChI=1S/C21H28N2O/c1-24-19-13-11-18(12-14-19)16-23-21-10-6-5-9-20(21)22-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-23H,5-6,9-10,15-16H2,1H3/t20-,21-/m1/s1
InChIKey DBEPZNDLLLPZII-NHCUHLMSSA-N
Molecular Weight 324.468 g/mol
SMILES N([C@]1([C@](NCc2ccc(cc2)OC)(CCCC1)[H])[H])Cc1ccccc1
SPLASH splash10-00dl-4920000000-1b6a6f3a0caa6bb1f09b
Source of Spectrum F-68-5166-2
Wiley ID 1572909