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trans-2-(2-Cyanophenyl)-10b,10c-dimethyl-10b,10c-dihydropyrene

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

trans-2-(2-Cyanophenyl)-10b,10c-dimethyl-10b,10c-dihydropyrene
SpectraBase Compound ID LMmgjHshr0a
InChI InChI=1S/C25H19N/c1-24-19-7-5-8-20(24)11-13-22-15-18(14-21(12-10-19)25(22,24)2)23-9-4-3-6-17(23)16-26/h3-15H,1-2H3
InChIKey AVZBSQMZAMHVFO-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C25H19N
Exact Mass 333.15175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCGxIgCgBD5
Name Trans-2-(2-cyanophenyl)-10B,10C-dimethyl-10B,10C-dihydropyrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.151749616 u
Formula C25H19N
InChI InChI=1S/C25H19N/c1-24-19-7-5-8-20(24)11-13-22-15-18(14-21(12-10-19)25(22,24)2)23-9-4-3-6-17(23)16-26/h3-15H,1-2H3
InChIKey AVZBSQMZAMHVFO-UHFFFAOYSA-N
Molecular Weight 333.434 g/mol
SMILES C12(C3=CC(=CC2=CC=C2C1(C(C=C3)=CC=C2)C)C=1C(C#N)=CC=CC1)C