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3,5,11-Trimethoxybenzo[c]benzo[a]phenanthrene

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

3,5,11-Trimethoxybenzo[c]benzo[a]phenanthrene
SpectraBase Compound ID 4H2gVBSwwR8
InChI InChI=1S/C25H20O3/c1-26-15-10-11-20-21(14-15)25-18(7-5-9-23(25)28-3)19-13-12-16-17(24(19)20)6-4-8-22(16)27-2/h4-14H,1-3H3
InChIKey WCYOHJIEIGWKGR-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C25H20O3
Exact Mass 368.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XOZAooFZ2a
Name 3,5,11-Trimethoxybenzo[C]benzo[A]phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.141244501 u
Formula C25H20O3
InChI InChI=1S/C25H20O3/c1-26-15-10-11-20-21(14-15)25-18(7-5-9-23(25)28-3)19-13-12-16-17(24(19)20)6-4-8-22(16)27-2/h4-14H,1-3H3
InChIKey WCYOHJIEIGWKGR-UHFFFAOYSA-N
Molecular Weight 368.432 g/mol
SMILES C1=2C=3C(=CC(=CC3)OC)C=3C(C1=CC=C1C2C=CC=C1OC)=CC=CC3OC