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(1RS,2SR,4RS,5SR)-1,5-Dibromo-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one

View entire compound with spectra: 2 MS (GC)

(1RS,2SR,4RS,5SR)-1,5-Dibromo-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 8jiwGNrwvrH
InChI InChI=1S/C10H8Br2F6O4/c11-5-2-1-3-6(12,4(5)19)8(21,10(16,17)18)22-7(5,20)9(13,14)15/h20-21H,1-3H2/t5?,6?,7-,8+
InChIKey PZDHJGADLACFCX-HYNHDVCUSA-N
Mol Weight 465.97 g/mol
Molecular Formula C10H8Br2F6O4
Exact Mass 463.869354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EkrL0mtBFc
Name (1RS,2SR,4RS,5SR)-1,5-Dibromo-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8Br2F6O4
InChI InChI=1S/C10H8Br2F6O4/c11-5-2-1-3-6(12,4(5)19)8(21,10(16,17)18)22-7(5,20)9(13,14)15/h20-21H,1-3H2/t5?,6?,7-,8+
InChIKey PZDHJGADLACFCX-HYNHDVCUSA-N
Literature Reference DOI 10.1002/hlca.200790043
Molecular Weight 465.968 g/mol
SMILES O[C@@]1(C2(CCCC([C@@](O1)(O)C(F)(F)F)(C2=O)Br)Br)C(F)(F)F
SPLASH splash10-00xr-5091100000-7e3d9f1cff15948f7c6f
Source of Spectrum H-90-379-6a
Synonyms (2R,4S)-1,5-dibromo-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
Wiley ID 1783838