(4R,5S)-4,5-bis(bromanyl)-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexan-1-one

SpectraBase Compound ID	98hYhQbIP9M
InChI	InChI=1S/C14H18Br2O3/c1-7-6-10(14(19)8(2)13(7)18)12(17)5-4-11(16)9(3)15/h6,9,11,18-19H,4-5H2,1-3H3/t9-,11+/m0/s1
InChIKey	JBKSYGBWMCOQNN-GXSJLCMTSA-N Google Search
Mol Weight	394.1 g/mol
Molecular Formula	C14H18Br2O3
Exact Mass	391.96227 g/mol

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SpectraBase Spectrum ID	6aFDHL1PBPX
Name	(4R,5S)-4,5-bis(bromanyl)-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexan-1-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H18Br2O3
InChI	InChI=1S/C14H18Br2O3/c1-7-6-10(14(19)8(2)13(7)18)12(17)5-4-11(16)9(3)15/h6,9,11,18-19H,4-5H2,1-3H3/t9-,11+/m0/s1
InChIKey	JBKSYGBWMCOQNN-GXSJLCMTSA-N
Molecular Weight	394.103 g/mol
SMILES	Oc1c(c(c(cc1C)C(CC[C@]([C@@](Br)(C)[H])(Br)[H])=O)O)C
SPLASH	splash10-014i-0912000000-a98d99f22422c688a628
Source of Spectrum	F-39-4254-0
Synonyms	(4R,5S)-4,5-dibromo-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hexan-1-one (4R,5S)-4,5-dibromo-1-(2,4-dihydroxy-3,5-dimethylphenyl)-1-hexanone
Wiley ID	1365551