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[(S)-AHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane) cyclohexanediamine]
SpectraBase Compound ID ABKFNBOp4wo
InChI InChI=1S/C24H30N2O/c1-16(26-22-8-3-2-7-21(22)25)23-19-11-9-17-5-4-6-18(15-17)10-12-20(14-13-19)24(23)27/h4-6,13-15,21-22,27H,2-3,7-12,25H2,1H3/b26-16+/t21-,22-/m1/s1
InChIKey ALGAEYLRUWLKRN-KWZPGYENSA-N
Mol Weight 362.52 g/mol
Molecular Formula C24H30N2O
Exact Mass 362.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQWxSJjbexP
Name [(S)-AHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane) cyclohexanediamine]
Alternate Name(s) [(R)-AHPC] (1R,2R)-CHDA [(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane) cyclohexanediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O
InChI InChI=1S/C24H30N2O/c1-16(26-22-8-3-2-7-21(22)25)23-19-11-9-17-5-4-6-18(15-17)10-12-20(14-13-19)24(23)27/h4-6,13-15,21-22,27H,2-3,7-12,25H2,1H3/b26-16+/t21-,22-/m1/s1
InChIKey ALGAEYLRUWLKRN-KWZPGYENSA-N
Molecular Weight 362.517 g/mol
SMILES N[C@]1([C@](\N=C\(c2c(c3ccc2CCc2cccc(CC3)c2)O)C)(CCCC1)[H])[H]
SPLASH splash10-03di-0922000000-df65d84d839b6bd1ff50
Source of Spectrum KD-14-1381-9
Wiley ID 1636071