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2,15-Bis(trifluoromethyl)dibenzo[g,p]chrysene

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

2,15-Bis(trifluoromethyl)dibenzo[g,p]chrysene
SpectraBase Compound ID J9n4QE07SJU
InChI InChI=1S/C28H14F6/c29-27(30,31)15-9-11-21-23(13-15)24-14-16(28(32,33)34)10-12-22(24)26-20-8-4-2-6-18(20)17-5-1-3-7-19(17)25(21)26/h1-14H
InChIKey QYHFILDBVSEQGE-UHFFFAOYSA-N
Mol Weight 464.41 g/mol
Molecular Formula C28H14F6
Exact Mass 464.099969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw8mcFqo1zh
Name 2,15-bis(Trifluoromethyl)dibenzo[G,p]chrysene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.099969429 u
Formula C28H14F6
InChI InChI=1S/C28H14F6/c29-27(30,31)15-9-11-21-23(13-15)24-14-16(28(32,33)34)10-12-22(24)26-20-8-4-2-6-18(20)17-5-1-3-7-19(17)25(21)26/h1-14H
InChIKey QYHFILDBVSEQGE-UHFFFAOYSA-N
Molecular Weight 464.410 g/mol
SMILES C=12C(C3=CC=C(C(F)(F)F)C=C3C=3C2=CC=C(C(F)(F)F)C3)=C2C=CC=CC2=C2C1C=CC=C2