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

*Links on SpectraBase are not permalinks.

3-Methyl-6-[tris(6-methyl-3-phenanthryl)methyl]phenanthrene

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

3-Methyl-6-[tris(6-methyl-3-phenanthryl)methyl]phenanthrene
SpectraBase Compound ID 2DDGqrSPOd5
InChI InChI=1S/C61H44/c1-37-5-9-41-13-17-45-21-25-49(33-57(45)53(41)29-37)61(50-26-22-46-18-14-42-10-6-38(2)30-54(42)58(46)34-50,51-27-23-47-19-15-43-11-7-39(3)31-55(43)59(47)35-51)52-28-24-48-20-16-44-12-8-40(4)32-56(44)60(48)36-52/h5-36H,1-4H3
InChIKey FXDCRFDNACBDMV-UHFFFAOYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C61H44
Exact Mass 776.344301 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 FB22Gx9u0bK
Name 3-Methyl-6-[tris(6-methyl-3-phenanthryl)methyl]phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 776.344301417 u
Formula C61H44
InChI InChI=1S/C61H44/c1-37-5-9-41-13-17-45-21-25-49(33-57(45)53(41)29-37)61(50-26-22-46-18-14-42-10-6-38(2)30-54(42)58(46)34-50,51-27-23-47-19-15-43-11-7-39(3)31-55(43)59(47)35-51)52-28-24-48-20-16-44-12-8-40(4)32-56(44)60(48)36-52/h5-36H,1-4H3
InChIKey FXDCRFDNACBDMV-UHFFFAOYSA-N
Molecular Weight 777.023 g/mol
SMILES C(C1=CC=C2C(=C1)C1=CC(=CC=C1C=C2)C)(C1=CC=C2C(=C1)C1=CC(=CC=C1C=C2)C)(C1=CC=C2C(=C1)C1=CC(=CC=C1C=C2)C)C1=CC=C2C(=C1)C1=CC(=CC=C1C=C2)C