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[(S)-BHPC][(R)-FHPC] EDA [(S)-(4-benzoyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-formyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
SpectraBase Compound ID I8VqwplJtG5
InChI InChI=1S/C42H40N2O2/c45-41-36-18-14-31-8-4-6-29(26-31)12-16-33(20-22-36)38(41)28-43-24-25-44-40(35-10-2-1-3-11-35)39-34-17-13-30-7-5-9-32(27-30)15-19-37(23-21-34)42(39)46/h1-11,20-23,26-28,45-46H,12-19,24-25H2/b43-28+,44-40+
InChIKey VYNGVKXHUJKDJI-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 HdAYBShNLeO
Name [(S)-BHPC][(R)-FHPC] EDA [(S)-(4-benzoyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-formyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
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Formula C42H40N2O2
InChI InChI=1S/C42H40N2O2/c45-41-36-18-14-31-8-4-6-29(26-31)12-16-33(20-22-36)38(41)28-43-24-25-44-40(35-10-2-1-3-11-35)39-34-17-13-30-7-5-9-32(27-30)15-19-37(23-21-34)42(39)46/h1-11,20-23,26-28,45-46H,12-19,24-25H2/b43-28+,44-40+
InChIKey VYNGVKXHUJKDJI-VCPBTJHVSA-N
Molecular Weight 604.794 g/mol
SMILES Oc1c(\C=N\CC\N=C\(c2c(c3ccc2CCc2cccc(CC3)c2)O)c2ccccc2)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0udi-0950003000-9ec98eb9475454c0119a
Source of Spectrum KD-14-1382-15
Wiley ID 1636065