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(7S,8S)-2-Fluoro-7,8,9,10-tetrahydro-benzo[def]chrysene-7,8-diol
SpectraBase Compound ID B3Y0S0m9uJu
InChI InChI=1S/C20H15FO2/c21-13-7-10-1-2-12-9-16-14(5-6-17(22)20(16)23)15-4-3-11(8-13)18(10)19(12)15/h1-4,7-9,17,20,22-23H,5-6H2/t17-,20-/m0/s1
InChIKey BECYLTWMRRMCSX-PXNSSMCTSA-N
Mol Weight 306.34 g/mol
Molecular Formula C20H15FO2
Exact Mass 306.105608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18VCUeYhGdd
Name (7S,8S)-2-Fluoro-7,8,9,10-tetrahydro-benzo[def]chrysene-7,8-diol
Alternate Name(s) (trans)-[7S,8S]-Dihydroxy-7,8,9,10-tetrahydro-2-fluorobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15FO2
InChI InChI=1S/C20H15FO2/c21-13-7-10-1-2-12-9-16-14(5-6-17(22)20(16)23)15-4-3-11(8-13)18(10)19(12)15/h1-4,7-9,17,20,22-23H,5-6H2/t17-,20-/m0/s1
InChIKey BECYLTWMRRMCSX-PXNSSMCTSA-N
Molecular Weight 306.336 g/mol
SMILES O[C@@]1([C@](CCc2c1cc1c3c4c(ccc23)cc(cc4cc1)F)(O)[H])[H]
SPLASH splash10-0a59-0097000000-ba10b7e420c3a0418bd4
Source of Spectrum CRT-19-245-12
Wiley ID 1710194