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(7S,8S)-2-Fluoro-7,8-dihydro-benzo[def]chrysene-7,8-diol
SpectraBase Compound ID 3M02am7YCRK
InChI InChI=1S/C20H13FO2/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/h1-9,17,20,22-23H/t17-,20-/m0/s1
InChIKey GKZTUDXBSGIWDT-PXNSSMCTSA-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 2QvFUt4rGHt
Name (7S,8S)-2-Fluoro-7,8-dihydro-benzo[def]chrysene-7,8-diol
Alternate Name(s) (trans)-[7S,8S]-Dihydroxy-7,8-dihydro-2-fluorobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13FO2
InChI InChI=1S/C20H13FO2/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/h1-9,17,20,22-23H/t17-,20-/m0/s1
InChIKey GKZTUDXBSGIWDT-PXNSSMCTSA-N
Molecular Weight 304.320 g/mol
SMILES O[C@]1(c2c(C=C[C@@]1(O)[H])c1ccc3c4c1c(c2)ccc4cc(c3)F)[H]
SPLASH splash10-052r-0392000000-d684ffea73da39f286cc
Source of Spectrum CRT-19-245-19
Wiley ID 1710189