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trans-2-[2-(Trifluoromethyl)phenyl]-10b,10c-dimethyl-10b,10c-dihydropyrene

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

trans-2-[2-(Trifluoromethyl)phenyl]-10b,10c-dimethyl-10b,10c-dihydropyrene
SpectraBase Compound ID JpFBTGlSQUt
InChI InChI=1S/C25H19F3/c1-23-17-6-5-7-18(23)11-13-20-15-16(14-19(12-10-17)24(20,23)2)21-8-3-4-9-22(21)25(26,27)28/h3-15H,1-2H3
InChIKey XXWVUONYHAKDQN-UHFFFAOYSA-N
Mol Weight 376.42 g/mol
Molecular Formula C25H19F3
Exact Mass 376.143885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID caWLAwkwdA
Name Trans-2-[2-(trifluoromethyl)phenyl]-10B,10C-dimethyl-10B,10C-dihydropyrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.143885101 u
Formula C25H19F3
InChI InChI=1S/C25H19F3/c1-23-17-6-5-7-18(23)11-13-20-15-16(14-19(12-10-17)24(20,23)2)21-8-3-4-9-22(21)25(26,27)28/h3-15H,1-2H3
InChIKey XXWVUONYHAKDQN-UHFFFAOYSA-N
Molecular Weight 376.422 g/mol
SMILES C12(C3=CC(=CC2=CC=C2C1(C(C=C3)=CC=C2)C)C=1C(C(F)(F)F)=CC=CC1)C