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(1S,4S,5R,6R)-2,5-dibromo-6-((4-methoxybenzyl)oxy)cyclohex-2-ene-1,4-diol
SpectraBase Compound ID zT6ZkUspn1
InChI InChI=1S/C14H16Br2O4/c1-19-9-4-2-8(3-5-9)7-20-14-12(16)11(17)6-10(15)13(14)18/h2-6,11-14,17-18H,7H2,1H3/t11-,12+,13+,14-/m0/s1
InChIKey UVZQLCQDTPKIOY-DGAVXFQQSA-N
Mol Weight 408.09 g/mol
Molecular Formula C14H16Br2O4
Exact Mass 405.941535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hs8e5ZymdAo
Name (1S,4S,5R,6R)-2,5-dibromo-6-((4-methoxybenzyl)oxy)cyclohex-2-ene-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16Br2O4
InChI InChI=1S/C14H16Br2O4/c1-19-9-4-2-8(3-5-9)7-20-14-12(16)11(17)6-10(15)13(14)18/h2-6,11-14,17-18H,7H2,1H3/t11-,12+,13+,14-/m0/s1
InChIKey UVZQLCQDTPKIOY-DGAVXFQQSA-N
Literature Reference DOI 10.1021/jo500210k
Molecular Weight 408.086 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@](C(=C1)Br)(O)[H])(OCc1ccc(cc1)OC)[H])(Br)[H])[H]
SPLASH splash10-00di-0900000000-e53494510f942f8f6ae3
Source of Spectrum J-79-2836-8
Wiley ID 1746175