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5,8-Epoxy-5,8-dihydro-1,2,3,4,5,8-hexaphenylnaphthalene

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5,8-Epoxy-5,8-dihydro-1,2,3,4,5,8-hexaphenylnaphthalene
SpectraBase Compound ID CW3fA3nyBn9
InChI InChI=1S/C46H32O/c1-7-19-33(20-8-1)39-40(34-21-9-2-10-22-34)42(36-25-13-4-14-26-36)44-43(41(39)35-23-11-3-12-24-35)45(37-27-15-5-16-28-37)31-32-46(44,47-45)38-29-17-6-18-30-38/h1-32H
InChIKey AXLVRDQUDYJVBX-UHFFFAOYSA-N
Mol Weight 600.8 g/mol
Molecular Formula C46H32O
Exact Mass 600.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwAc8IQXWQX
Name 5,8-Epoxy-5,8-dihydro-1,2,3,4,5,8-hexaphenylnaphthalene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.245315649 u
Formula C46H32O
InChI InChI=1S/C46H32O/c1-7-19-33(20-8-1)39-40(34-21-9-2-10-22-34)42(36-25-13-4-14-26-36)44-43(41(39)35-23-11-3-12-24-35)45(37-27-15-5-16-28-37)31-32-46(44,47-45)38-29-17-6-18-30-38/h1-32H
InChIKey AXLVRDQUDYJVBX-UHFFFAOYSA-N
Molecular Weight 600.761 g/mol
SMILES C12(C=3C(=C(C=4C=CC=CC4)C(=C(C3C3=CC=CC=C3)C3=CC=CC=C3)C=3C=CC=CC3)C(O2)(C=2C=CC=CC2)C=C1)C=1C=CC=CC1