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4-Phenyl-5-(3,5-xylyl)triphenylene

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Phenyl-5-(3,5-xylyl)triphenylene
SpectraBase Compound ID bj8Iqe1Gcw
InChI InChI=1S/C32H24/c1-21-18-22(2)20-24(19-21)26-15-9-17-30-28-13-7-6-12-27(28)29-16-8-14-25(31(29)32(26)30)23-10-4-3-5-11-23/h3-20H,1-2H3
InChIKey UVZVAYIYCDYZHK-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C32H24
Exact Mass 408.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INDYY6XnySl
Name 4-Phenyl-5-(3,5-xylyl)triphenylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.187800773 u
Formula C32H24
InChI InChI=1S/C32H24/c1-21-18-22(2)20-24(19-21)26-15-9-17-30-28-13-7-6-12-27(28)29-16-8-14-25(31(29)32(26)30)23-10-4-3-5-11-23/h3-20H,1-2H3
InChIKey UVZVAYIYCDYZHK-UHFFFAOYSA-N
Molecular Weight 408.544 g/mol
SMILES C=12C=CC=CC1C=1C=CC=C(C1C=1C(=CC=CC21)C=1C=CC=CC1)C=1C=C(C=C(C1)C)C