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

*Links on SpectraBase are not permalinks.

[4.4](3,6)Phenanthrenophane

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

[4.4](3,6)Phenanthrenophane
SpectraBase Compound ID 9vUMNdUMVfu
InChI InChI=1S/C36H32/c1-2-6-26-10-14-30-19-20-32-16-12-28(24-36(32)34(30)22-26)8-4-3-7-27-11-15-31-18-17-29-13-9-25(5-1)21-33(29)35(31)23-27/h9-24H,1-8H2
InChIKey IGWAVCSHJKSKMK-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C36H32
Exact Mass 464.250401 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 2aSpkZFXXNK
Name [4.4](3,6)Phenanthrenophane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.250401030 u
Formula C36H32
InChI InChI=1S/C36H32/c1-2-6-26-10-14-30-19-20-32-16-12-28(24-36(32)34(30)22-26)8-4-3-7-27-11-15-31-18-17-29-13-9-25(5-1)21-33(29)35(31)23-27/h9-24H,1-8H2
InChIKey IGWAVCSHJKSKMK-UHFFFAOYSA-N
Molecular Weight 464.652 g/mol
SMILES C=12C=3C4=CC=C(C3)CCCCC3=CC5=C6C=C(CCCCC(C1)=CC=C2C=C4)C=CC6=CC=C5C=C3