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trans-8,9-Bis(benzoyloxy)-8,9-dihydrobenzo[k]fluoranthene
SpectraBase Compound ID IFAGUJqg7Dd
InChI InChI=1S/C34H22O4/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/h1-20,30,32H/t30-,32-/m0/s1
InChIKey BNFDVNSOKPVTLJ-CDZUIXILSA-N
Mol Weight 494.5 g/mol
Molecular Formula C34H22O4
Exact Mass 494.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gBQE5wGrf2
Name trans-8,9-Bis(benzoyloxy)-8,9-dihydrobenzo[k]fluoranthene
CAS Registry Number 77061-22-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H22O4
InChI InChI=1S/C34H22O4/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/h1-20,30,32H/t30-,32-/m0/s1
InChIKey BNFDVNSOKPVTLJ-CDZUIXILSA-N
Molecular Weight 494.546 g/mol
SMILES c1-2c(-c3cccc4c3c2ccc4)cc2c(c1)[C@](OC(=O)c1ccccc1)([C@@](OC(=O)c1ccccc1)(C=C2)[H])[H]
SPLASH splash10-0a4i-0902000000-6a5fae2a8687e4731f33
Source of Spectrum J-46-2578-0
Synonyms (8S,9S)-9-(benzoyloxy)-8,9-dihydrobenzo[k]fluoranthen-8-yl benzoate
Wiley ID 1398018