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(trans)-[7R,8R]-Dihydroxy-7,8-dihydro-2-fluorobenzo[a]pyrene
SpectraBase Compound ID F7RY9lWQwwW
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-/m1/s1
InChIKey GKZTUDXBSGIWDT-YLJYHZDGSA-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 5fLBJtB1eoT
Name (trans)-[7R,8R]-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-/m1/s1
InChIKey GKZTUDXBSGIWDT-YLJYHZDGSA-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 splash10-059i-0090000000-f0e65cfa849359d1d242
Source of Spectrum CRT-19-245-21
Wiley ID 1710188