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2,2-Dibromo-3-hydroxy-1-(phenanthren-9-yl)hexan-1-one
SpectraBase Compound ID 7A2fbL9sgLP
InChI InChI=1S/C20H18Br2O2/c1-2-7-18(23)20(21,22)19(24)17-12-13-8-3-4-9-14(13)15-10-5-6-11-16(15)17/h3-6,8-12,18,23H,2,7H2,1H3
InChIKey XINSSCVEQFQVMV-UHFFFAOYSA-N
Mol Weight 450.17 g/mol
Molecular Formula C20H18Br2O2
Exact Mass 447.967356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECcNFXVHXCD
Name 2,2-Dibromo-3-hydroxy-1-(phenanthren-9-yl)hexan-1-one
Appearance Pale brown solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.967355818 u
Formula C20H18Br2O2
InChI InChI=1S/C20H18Br2O2/c1-2-7-18(23)20(21,22)19(24)17-12-13-8-3-4-9-14(13)15-10-5-6-11-16(15)17/h3-6,8-12,18,23H,2,7H2,1H3
InChIKey XINSSCVEQFQVMV-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800668
Molecular Weight 450.170 g/mol
Reported Formula C20H18Br2O2
SMILES OC(C(C(C=1C2=CC=CC=C2C2=C(C1)C=CC=C2)=O)(Br)Br)CCC
SPLASH splash10-0a4i-0090100000-157d7862c05d4b403ac1
Source of Spectrum K1-2018-4022-6i (DOI: 10.1002/ejoc.201800668)
Wiley ID 1894177