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4',5''-Diaminodibenzo[b,k]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
SpectraBase Compound ID E9SxZKTcFEZ
InChI InChI=1S/C20H26N2O6/c21-15-1-3-17-19(13-15)27-11-7-24-8-12-28-20-14-16(22)2-4-18(20)26-10-6-23-5-9-25-17/h1-4,13-14H,5-12,21-22H2
InChIKey KWANJDFEJOPRHQ-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C20H26N2O6
Exact Mass 390.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33jhdhHyOsB
Name 4',5''-Diaminodibenzo[B,K]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
Comments Computed using HOSE algorithm
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Exact Mass 390.179086559 u
Formula C20H26N2O6
InChI InChI=1S/C20H26N2O6/c21-15-1-3-17-19(13-15)27-11-7-24-8-12-28-20-14-16(22)2-4-18(20)26-10-6-23-5-9-25-17/h1-4,13-14H,5-12,21-22H2
InChIKey KWANJDFEJOPRHQ-UHFFFAOYSA-N
Molecular Weight 390.436 g/mol
SMILES C1=C2OCCOCCOC3=CC=C(N)C=C3OCCOCCOC2=CC(=C1)N