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meso-[(S)-AHPC][(R)-AHPC]EDA [meso-(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
SpectraBase Compound ID 3Z46YxJJHlg
InChI InChI=1S/C38H40N2O2/c1-25(35-31-13-9-27-5-3-7-29(23-27)11-15-33(19-17-31)37(35)41)39-21-22-40-26(2)36-32-14-10-28-6-4-8-30(24-28)12-16-34(20-18-32)38(36)42/h3-8,17-20,23-24,41-42H,9-16,21-22H2,1-2H3/b39-25+,40-26+
InChIKey FZMUHZMCGATHBY-YXTVXKGXSA-N
Mol Weight 556.8 g/mol
Molecular Formula C38H40N2O2
Exact Mass 556.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSTblmNKdPh
Name meso-[(S)-AHPC][(R)-AHPC]EDA [meso-(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
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Formula C38H40N2O2
InChI InChI=1S/C38H40N2O2/c1-25(35-31-13-9-27-5-3-7-29(23-27)11-15-33(19-17-31)37(35)41)39-21-22-40-26(2)36-32-14-10-28-6-4-8-30(24-28)12-16-34(20-18-32)38(36)42/h3-8,17-20,23-24,41-42H,9-16,21-22H2,1-2H3/b39-25+,40-26+
InChIKey FZMUHZMCGATHBY-YXTVXKGXSA-N
Molecular Weight 556.750 g/mol
SMILES Oc1c(\C(=N\CC\N=C\(c2c(c3ccc2CCc2cccc(CC3)c2)O)C)C)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0udj-0910020000-ba8f0583fdcbb149af20
Source of Spectrum KD-14-1382-18
Wiley ID 1636062