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trans-8,9-Bis(benzoyloxy)-8,9,10,11-tetrahydrobenzo[k]fluoranthene

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trans-8,9-Bis(benzoyloxy)-8,9,10,11-tetrahydrobenzo[k]fluoranthene
SpectraBase Compound ID KOMpUrnrelT
InChI InChI=1S/C34H24O4/c35-33(22-9-3-1-4-10-22)37-30-18-17-24-19-28-25-15-7-13-21-14-8-16-26(31(21)25)29(28)20-27(24)32(30)38-34(36)23-11-5-2-6-12-23/h1-16,19-20,30,32H,17-18H2/t30-,32-/m0/s1
InChIKey OVZRPYINCWVZBR-CDZUIXILSA-N
Mol Weight 496.6 g/mol
Molecular Formula C34H24O4
Exact Mass 496.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6669sp3Wk8c
Name Trans-8,9-bis(benzoyloxy)-8,9,10,11-tetrahydrobenzo[K]fluoranthene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.167459249 u
Formula C34H24O4
InChI InChI=1S/C34H24O4/c35-33(22-9-3-1-4-10-22)37-30-18-17-24-19-28-25-15-7-13-21-14-8-16-26(31(21)25)29(28)20-27(24)32(30)38-34(36)23-11-5-2-6-12-23/h1-16,19-20,30,32H,17-18H2/t30-,32-/m0/s1
InChIKey OVZRPYINCWVZBR-CDZUIXILSA-N
Molecular Weight 496.562 g/mol
SMILES C=12C(C3=CC=CC=4C3=C2C=CC4)=CC2=C(C1)[C@](OC(=O)C=1C=CC=CC1)([C@@](OC(=O)C1=CC=CC=C1)(CC2)[H])[H]