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[(S)-BHPC][(S)-FHPC] EDA [(S)-(4-benzoyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
SpectraBase Compound ID DQVGRahN2aB
InChI InChI=1S/C42H40N2O2/c45-41-36-19-14-30-11-9-29(10-12-30)13-17-33(21-23-36)38(41)28-43-25-26-44-40(35-7-2-1-3-8-35)39-34-18-15-31-5-4-6-32(27-31)16-20-37(24-22-34)42(39)46/h1-12,21-24,27-28,45-46H,13-20,25-26H2/b43-28+,44-40+
InChIKey GNLMXKMYIKCUHY-VCPBTJHVSA-N
Mol Weight 604.8 g/mol
Molecular Formula C42H40N2O2
Exact Mass 604.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEcZHm6m1dI
Name [(S)-BHPC][(S)-FHPC] EDA [(S)-(4-benzoyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
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Formula C42H40N2O2
InChI InChI=1S/C42H40N2O2/c45-41-36-19-14-30-11-9-29(10-12-30)13-17-33(21-23-36)38(41)28-43-25-26-44-40(35-7-2-1-3-8-35)39-34-18-15-31-5-4-6-32(27-31)16-20-37(24-22-34)42(39)46/h1-12,21-24,27-28,45-46H,13-20,25-26H2/b43-28+,44-40+
InChIKey GNLMXKMYIKCUHY-VCPBTJHVSA-N
Molecular Weight 604.794 g/mol
SMILES Oc1c(\C=N\CC\N=C\(c2c(c3ccc2CCc2cccc(CC3)c2)O)c2ccccc2)c2CCc3ccc(CCc1cc2)cc3
SPLASH splash10-0udi-0940002000-77e31da67697ba0b4245
Source of Spectrum KD-14-1381-12
Wiley ID 1636068