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N,N'-bis-(5-chloro-3H-isobenzofuran-1-ylidene)-cyclohexane-(1R,2R)-diamine
SpectraBase Compound ID 3gqOHwfpXdI
InChI InChI=1S/C22H20Cl2N2O2/c23-15-5-7-17-13(9-15)11-27-21(17)25-19-3-1-2-4-20(19)26-22-18-8-6-16(24)10-14(18)12-28-22/h5-10,19-20H,1-4,11-12H2/t19-,20-/m1/s1
InChIKey SEXZCNFTQRWARA-WOJBJXKFSA-N
Mol Weight 415.32 g/mol
Molecular Formula C22H20Cl2N2O2
Exact Mass 414.090183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NoAKjakx6S
Name N,N'-bis-(5-chloro-3H-isobenzofuran-1-ylidene)-cyclohexane-(1R,2R)-diamine
Appearance White solid
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Formula C22H20Cl2N2O2
InChI InChI=1S/C22H20Cl2N2O2/c23-15-5-7-17-13(9-15)11-27-21(17)25-19-3-1-2-4-20(19)26-22-18-8-6-16(24)10-14(18)12-28-22/h5-10,19-20H,1-4,11-12H2/t19-,20-/m1/s1
InChIKey SEXZCNFTQRWARA-WOJBJXKFSA-N
Instrument Name ??Hewlett-Packard 5988A
Ionization Type EI
Molecular Weight 415.320 g/mol
Optical Rotation [a]D20 = +60.1 (c = 1.08, CHCl3)
SMILES [C@]1([C@](N=C2c3c(cc(Cl)cc3)CO2)(CCCC1)[H])(N=C1OCc2c1ccc(Cl)c2)[H]
SPLASH splash10-0fe0-4910000000-dea162cf7d44c6656953
Source of Spectrum US2012077989A1
Wiley ID 1845098