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Benzo[k]fluoranthen-8-ol, 9-bromo-8,9,10,11-tetrahydro-, acetate, trans-
SpectraBase Compound ID Air0ddSGLS3
InChI InChI=1S/C22H17BrO2/c1-12(24)25-22-17-11-19-16-7-3-5-13-4-2-6-15(21(13)16)18(19)10-14(17)8-9-20(22)23/h2-7,10-11,20,22H,8-9H2,1H3/t20-,22-/m0/s1
InChIKey FLCCPMKHWZEFKC-UNMCSNQZSA-N
Mol Weight 393.28 g/mol
Molecular Formula C22H17BrO2
Exact Mass 392.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2k5dxCOqn8x
Name Benzo[k]fluoranthen-8-ol, 9-bromo-8,9,10,11-tetrahydro-, acetate, trans-
Alternate Name(s) (8S,9S)-9-bromo-8,9,10,11-tetrahydrobenzo[k]fluoranthen-8-yl acetate trans-8-acetoxy-9-bromo-8,9,10,11-tetrahydrobenzo[k]fluoranthene
CAS Registry Number 113600-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrO2
InChI InChI=1S/C22H17BrO2/c1-12(24)25-22-17-11-19-16-7-3-5-13-4-2-6-15(21(13)16)18(19)10-14(17)8-9-20(22)23/h2-7,10-11,20,22H,8-9H2,1H3/t20-,22-/m0/s1
InChIKey FLCCPMKHWZEFKC-UNMCSNQZSA-N
Molecular Weight 393.280 g/mol
SMILES c1-2c(-c3cccc4c3c2ccc4)cc2c(c1)[C@](OC(=O)C)([C@@](Br)(CC2)[H])[H]
SPLASH splash10-0ue9-0094000000-79dc1eeb063a83e0e30f
Source of Spectrum J-53-1778-18
Wiley ID 1365798