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[(R)-BHPC]2 EDA [(R)-Bis-(4-benzoyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
SpectraBase Compound ID 5ig0fcSDhYD
InChI InChI=1S/C48H44N2O2/c51-47-41-24-19-34-16-14-33(15-17-34)18-22-37(26-28-41)43(47)45(39-10-3-1-4-11-39)49-30-31-50-46(40-12-5-2-6-13-40)44-38-23-20-35-8-7-9-36(32-35)21-25-42(29-27-38)48(44)52/h1-17,26-29,32,51-52H,18-25,30-31H2/b49-45+,50-46+
InChIKey RSUXKUPBSKMBFV-XMWVESSBSA-N
Mol Weight 680.9 g/mol
Molecular Formula C48H44N2O2
Exact Mass 680.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73xQgFGSmNX
Name [(R)-BHPC]2 EDA [(R)-Bis-(4-benzoyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H44N2O2
InChI InChI=1S/C48H44N2O2/c51-47-41-24-19-34-16-14-33(15-17-34)18-22-37(26-28-41)43(47)45(39-10-3-1-4-11-39)49-30-31-50-46(40-12-5-2-6-13-40)44-38-23-20-35-8-7-9-36(32-35)21-25-42(29-27-38)48(44)52/h1-17,26-29,32,51-52H,18-25,30-31H2/b49-45+,50-46+
InChIKey RSUXKUPBSKMBFV-XMWVESSBSA-N
Molecular Weight 680.892 g/mol
SMILES Oc1c(\C(=N\CC\N=C\(c2c(c3ccc2CCc2ccc(CC3)cc2)O)c2ccccc2)c2ccccc2)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0udi-0920002000-0a13a997fe31f0712a85
Source of Spectrum KD-14-1379-5
Wiley ID 1636075