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7,8,10-Triphenyl-9-(2,4-xylyl)fluoranthene

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

7,8,10-Triphenyl-9-(2,4-xylyl)fluoranthene
SpectraBase Compound ID 5z3dtaL0uwY
InChI InChI=1S/C42H30/c1-27-24-25-33(28(2)26-27)40-37(30-14-6-3-7-15-30)38(31-16-8-4-9-17-31)41-34-22-12-20-29-21-13-23-35(36(29)34)42(41)39(40)32-18-10-5-11-19-32/h3-26H,1-2H3
InChIKey WQIDBMHSSXOEGW-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C42H30
Exact Mass 534.234751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQrmOnWjKvR
Name 7,8,10-Triphenyl-9-(2,4-xylyl)fluoranthene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.234750966 u
Formula C42H30
InChI InChI=1S/C42H30/c1-27-24-25-33(28(2)26-27)40-37(30-14-6-3-7-15-30)38(31-16-8-4-9-17-31)41-34-22-12-20-29-21-13-23-35(36(29)34)42(41)39(40)32-18-10-5-11-19-32/h3-26H,1-2H3
InChIKey WQIDBMHSSXOEGW-UHFFFAOYSA-N
Molecular Weight 534.702 g/mol
SMILES CC1=CC(=C(C2=C(C=3C4=CC=CC5=C4C(C3C(=C2C2=CC=CC=C2)C=2C=CC=CC2)=CC=C5)C=2C=CC=CC2)C=C1)C