(trans)-[7R,8R]-bis(Benzoyloxy)-7,8-dihydro-2-fluorobenzo[a]pyrene

SpectraBase Compound ID	B8FeUsDSYGR
InChI	InChI=1S/C34H21FO4/c35-25-17-22-11-12-24-19-28-26(27-14-13-23(18-25)30(22)31(24)27)15-16-29(38-33(36)20-7-3-1-4-8-20)32(28)39-34(37)21-9-5-2-6-10-21/h1-19,29,32H/t29-,32-/m1/s1
InChIKey	ZFCWHVVULSJVKF-QLWXXVCSSA-N Google Search
Mol Weight	512.5 g/mol
Molecular Formula	C34H21FO4
Exact Mass	512.142387 g/mol

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SpectraBase Spectrum ID	428CrY2aAlt
Name	(Trans)-[7R,8R]-bis(benzoyloxy)-7,8-dihydro-2-fluorobenzo[A]pyrene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	512.142387315 u
Formula	C34H21FO4
InChI	InChI=1S/C34H21FO4/c35-25-17-22-11-12-24-19-28-26(27-14-13-23(18-25)30(22)31(24)27)15-16-29(38-33(36)20-7-3-1-4-8-20)32(28)39-34(37)21-9-5-2-6-10-21/h1-19,29,32H/t29-,32-/m1/s1
InChIKey	ZFCWHVVULSJVKF-QLWXXVCSSA-N
Molecular Weight	512.536 g/mol
SMILES	C1=2C(=C3C=CC=4C5=C3C(C2)=CC=C5C=C(F)C4)C=C[C@]([C@@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C=1C=CC=CC1)[H]