For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[(R)-AHPC][(S)-FHPC] (1R,2R)-CHDA [(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]

View entire compound with spectra: 2 MS (GC)

[(R)-AHPC][(S)-FHPC] (1R,2R)-CHDA [(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
SpectraBase Compound ID IOrEdo5pHla
InChI InChI=1S/C41H44N2O2/c1-27(39-33-17-13-29-7-5-9-31(25-29)15-19-35(23-21-33)41(39)45)43-38-11-3-2-10-37(38)42-26-36-32-16-12-28-6-4-8-30(24-28)14-18-34(22-20-32)40(36)44/h4-9,20-26,37-38,44-45H,2-3,10-19H2,1H3/b42-26+,43-27+/t37-,38-/m1/s1
InChIKey CODWJECOJBTZOP-GMZZSGJTSA-N
Mol Weight 596.8 g/mol
Molecular Formula C41H44N2O2
Exact Mass 596.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7AqHx5URAXk
Name [(R)-AHPC][(S)-FHPC] (1R,2R)-CHDA [(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
Alternate Name(s) [(S)-AHPC][(R)-FHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H44N2O2
InChI InChI=1S/C41H44N2O2/c1-27(39-33-17-13-29-7-5-9-31(25-29)15-19-35(23-21-33)41(39)45)43-38-11-3-2-10-37(38)42-26-36-32-16-12-28-6-4-8-30(24-28)14-18-34(22-20-32)40(36)44/h4-9,20-26,37-38,44-45H,2-3,10-19H2,1H3/b42-26+,43-27+/t37-,38-/m1/s1
InChIKey CODWJECOJBTZOP-GMZZSGJTSA-N
Molecular Weight 596.815 g/mol
SMILES Oc1c(\C=N\[C@]2([C@](\N=C\(c3c(c4ccc3CCc3cccc(CC4)c3)O)C)(CCCC2)[H])[H])c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0gvk-0900030000-3f4233a8315bdae524a3
Source of Spectrum KD-14-1382-17
Wiley ID 1636063