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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

[(S)-AHPC][(R)-AHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)cyclohexanediamine]
SpectraBase Compound ID Adu5cQJ55nH
InChI InChI=1S/C42H46N2O2/c1-27(39-33-17-13-29-7-5-9-31(25-29)15-19-35(23-21-33)41(39)45)43-37-11-3-4-12-38(37)44-28(2)40-34-18-14-30-8-6-10-32(26-30)16-20-36(24-22-34)42(40)46/h5-10,21-26,37-38,45-46H,3-4,11-20H2,1-2H3/b43-27+,44-28+/t37-,38-/m1/s1
InChIKey DMQHCEYBFSQDNI-MCXRQJTPSA-N
Mol Weight 610.8 g/mol
Molecular Formula C42H46N2O2
Exact Mass 610.355929 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 86g3iG2vQ8a
Name [(S)-AHPC][(R)-AHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)cyclohexanediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46N2O2
InChI InChI=1S/C42H46N2O2/c1-27(39-33-17-13-29-7-5-9-31(25-29)15-19-35(23-21-33)41(39)45)43-37-11-3-4-12-38(37)44-28(2)40-34-18-14-30-8-6-10-32(26-30)16-20-36(24-22-34)42(40)46/h5-10,21-26,37-38,45-46H,3-4,11-20H2,1-2H3/b43-27+,44-28+/t37-,38-/m1/s1
InChIKey DMQHCEYBFSQDNI-MCXRQJTPSA-N
Molecular Weight 610.842 g/mol
SMILES Oc1c(\C(=N\[C@]2([C@](\N=C\(c3c(c4ccc3CCc3cccc(CC4)c3)O)C)(CCCC2)[H])[H])C)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0xr0-0900001000-73da88f474695d1bf5b5
Source of Spectrum KD-14-1381-11
Wiley ID 1636069