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[(S)-AHPC]2 EDA [(S)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
SpectraBase Compound ID 1Uq3aLpytZz
InChI InChI=1S/C38H40N2O2/c1-25(35-31-14-10-27-6-8-28(9-7-27)11-16-33(20-18-31)37(35)41)39-22-23-40-26(2)36-32-15-12-29-4-3-5-30(24-29)13-17-34(21-19-32)38(36)42/h3-9,18-21,24,41-42H,10-17,22-23H2,1-2H3/b39-25+,40-26+
InChIKey LNWSURJKKIIMGC-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 4XNTGWjjHBG
Name [(S)-AHPC]2 EDA [(S)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) ethylenediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H40N2O2
InChI InChI=1S/C38H40N2O2/c1-25(35-31-14-10-27-6-8-28(9-7-27)11-16-33(20-18-31)37(35)41)39-22-23-40-26(2)36-32-15-12-29-4-3-5-30(24-29)13-17-34(21-19-32)38(36)42/h3-9,18-21,24,41-42H,10-17,22-23H2,1-2H3/b39-25+,40-26+
InChIKey LNWSURJKKIIMGC-YXTVXKGXSA-N
Molecular Weight 556.750 g/mol
SMILES Oc1c(\C(=N\CC\N=C\(c2c(c3ccc2CCc2cccc(CC3)c2)O)C)C)c2CCc3ccc(CCc1cc2)cc3
SPLASH splash10-0uka-0900010000-8feb72cfe6d106b00162
Source of Spectrum KD-14-1379-4
Wiley ID 1636076