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2,3-Dibromo-5-[4(e)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-dihydroxybenzene
SpectraBase Compound ID Dg85ElkFxOQ
InChI InChI=1S/C14H13Br2F3O3/c15-10-11(16)13(22)9(14(17,18)19)8(12(10)21)7-3-1-6(5-20)2-4-7/h5-7,21-22H,1-4H2/t6-,7-
InChIKey ZDZOSMVQHFLONM-LJGSYFOKSA-N
Mol Weight 446.06 g/mol
Molecular Formula C14H13Br2F3O3
Exact Mass 443.918355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UI9lX5Re41
Name 2,3-Dibromo-5-[4(e)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-dihydroxybenzene
Comments Less than 3 mono-isotopic peaks
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Formula C14H13Br2F3O3
InChI InChI=1S/C14H13Br2F3O3/c15-10-11(16)13(22)9(14(17,18)19)8(12(10)21)7-3-1-6(5-20)2-4-7/h5-7,21-22H,1-4H2/t6-,7-
InChIKey ZDZOSMVQHFLONM-LJGSYFOKSA-N
Molecular Weight 446.058 g/mol
SMILES Oc1c(c(c(c(c1Br)Br)O)C(F)(F)F)[C@]1(CC[C@](C=O)(CC1)[H])[H]
SPLASH splash10-002b-0000900000-24db888f3274e4e4826f
Source of Spectrum J-62-8677-32
Synonyms 4-[3,4-dibromo-2,5-dihydroxy-6-(trifluoromethyl)phenyl]cyclohexanecarbaldehyde
Wiley ID 1385840