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(1RS,2SR,4RS,5SR)-1,5-Dibromo-7-(tert-butyl)-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-7-(tert-butyl)-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 668JWW1DWRJ
InChI InChI=1S/C14H16Br2F6O4/c1-8(2,3)6-4-9(15)7(23)10(16,5-6)12(25,14(20,21)22)26-11(9,24)13(17,18)19/h6,24-25H,4-5H2,1-3H3/t6?,9?,10?,11-,12+
InChIKey DOQICESKZHNCKJ-GLPOHAPUSA-N
Mol Weight 522.08 g/mol
Molecular Formula C14H16Br2F6O4
Exact Mass 519.931954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIsGjpTvpOZ
Name (1RS,2SR,4RS,5SR)-1,5-Dibromo-7-(tert-butyl)-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
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Formula C14H16Br2F6O4
InChI InChI=1S/C14H16Br2F6O4/c1-8(2,3)6-4-9(15)7(23)10(16,5-6)12(25,14(20,21)22)26-11(9,24)13(17,18)19/h6,24-25H,4-5H2,1-3H3/t6?,9?,10?,11-,12+
InChIKey DOQICESKZHNCKJ-GLPOHAPUSA-N
Literature Reference DOI 10.1002/hlca.200790043
Molecular Weight 522.076 g/mol
SMILES O[C@@]1(O[C@@](C2(CC(CC1(C2=O)Br)C(C)(C)C)Br)(O)C(F)(F)F)C(F)(F)F
SPLASH splash10-03fr-5903100000-c06ffafd5d9662228d74
Source of Spectrum H-90-381-6c
Synonyms (2R,4S,7s)-1,5-dibromo-7-(tert-butyl)-2,4-dihydroxy-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonan-9-one
Wiley ID 1783840