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

*Links on SpectraBase are not permalinks.

1,4,7,18,21,24-Hexaoxa[7.7]-9,10-anthracenophane(AAO3O3)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4,7,18,21,24-Hexaoxa[7.7]-9,10-anthracenophane(AAO3O3)
SpectraBase Compound ID 6JVULTrtRRP
InChI InChI=1S/C36H32O6/c1-2-10-26-25(9-1)33-27-11-3-4-12-28(27)34(26)40-22-18-38-20-24-42-36-31-15-7-5-13-29(31)35(30-14-6-8-16-32(30)36)41-23-19-37-17-21-39-33/h1-16H,17-24H2
InChIKey KYAWAPYDPDTWEN-UHFFFAOYSA-N
Mol Weight 560.6 g/mol
Molecular Formula C36H32O6
Exact Mass 560.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3LUZ0AJ9wZ5
Name 1,4,7,18,21,24-Hexaoxa[7.7]-9,10-anthracenophane(AAO3O3)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.219888744 u
Formula C36H32O6
InChI InChI=1S/C36H32O6/c1-2-10-26-25(9-1)33-27-11-3-4-12-28(27)34(26)40-22-18-38-20-24-42-36-31-15-7-5-13-29(31)35(30-14-6-8-16-32(30)36)41-23-19-37-17-21-39-33/h1-16H,17-24H2
InChIKey KYAWAPYDPDTWEN-UHFFFAOYSA-N
Molecular Weight 560.646 g/mol
SMILES C12=C3C(C=CC=C3)=C(C=3C1=CC=CC3)OCCOCCOC1=C3C(=C(OCCOCCO2)C=2C1=CC=CC2)C=CC=C3