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(7S,8S)-6-fluoranyl-7,8-dihydrobenzo[a]pyrene-7,8-diol
SpectraBase Compound ID BBqXp6r99NR
InChI InChI=1S/C20H13FO2/c21-19-14-7-5-11-3-1-2-10-4-6-12(17(14)16(10)11)13-8-9-15(22)20(23)18(13)19/h1-9,15,20,22-23H/t15-,20+/m0/s1
InChIKey KBGUEKKHFJQKTP-MGPUTAFESA-N
Mol Weight 304.32 g/mol
Molecular Formula C20H13FO2
Exact Mass 304.089958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT4t2GicQdS
Name (7S,8S)-6-fluoranyl-7,8-dihydrobenzo[a]pyrene-7,8-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13FO2
InChI InChI=1S/C20H13FO2/c21-19-14-7-5-11-3-1-2-10-4-6-12(17(14)16(10)11)13-8-9-15(22)20(23)18(13)19/h1-9,15,20,22-23H/t15-,20+/m0/s1
InChIKey KBGUEKKHFJQKTP-MGPUTAFESA-N
Molecular Weight 304.320 g/mol
SMILES O[C@]1(c2c(C=C[C@@]1(O)[H])c1ccc3c4c1c(c2F)ccc4ccc3)[H]
SPLASH splash10-0a4r-0090000000-36cae347ecea15fe475d
Source of Spectrum J-64-1907-7
Synonyms (7S,8S)-6-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
Wiley ID 1529559