Methyl (4R,5S)-4,5-Bis(p-bromobenzoyloxy)hex-2-enoate

SpectraBase Compound ID	2N9SauUnaMA
InChI	InChI=1S/C21H18Br2O6/c1-13(28-20(25)14-3-7-16(22)8-4-14)18(11-12-19(24)27-2)29-21(26)15-5-9-17(23)10-6-15/h3-13,18H,1-2H3/b12-11+/t13-,18+/m0/s1
InChIKey	CPADAROVUSVVCT-DISDOXMVSA-N Google Search
Mol Weight	526.18 g/mol
Molecular Formula	C21H18Br2O6
Exact Mass	523.947014 g/mol

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SpectraBase Spectrum ID	IezmBWLmofs
Name	Methyl (4R,5S)-4,5-Bis(p-bromobenzoyloxy)hex-2-enoate
Alternate Name(s)	(1S,2R,3E)-2-[(4-bromobenzoyl)oxy]-5-methoxy-1-methyl-5-oxo-3-pentenyl 4-bromobenzoate 4-Bromobenzoic acid[(E,1S,2R)-2-(4-bromobenzoyl)oxy-5-keto-5-methoxy-1-methyl-pent-3-enyl]ester 4-Bromobenzoic acid[(E,2S,3R)-3-[(4-bromophenyl)-oxomethoxy]-6-methoxy-6-oxohex-4-en-2-yl]ester [(E,1S,2R)-2-(4-bromobenzoyl)oxy-5-methoxy-1-methyl-5-oxo-pent-3-enyl]4-bromobenzoate [(E,2S,3R)-3-(4-bromobenzoyl)oxy-6-methoxy-6-oxohex-4-en-2-yl]4-bromobenzoate [(E,2S,3R)-3-(4-bromophenyl)carbonyloxy-6-methoxy-6-oxidanylidene-hex-4-en-2-yl]4-bromanylbenzoate 4-Bromobenzoic acid [(E,2S,3R)-3-[(4-bromophenyl)-oxomethoxy]-6-methoxy-6-oxohex-4-en-2-yl] ester [(E,2S,3R)-3-(4-bromobenzoyl)oxy-6-methoxy-6-oxohex-4-en-2-yl] 4-bromobenzoate [(E,1S,2R)-2-(4-bromobenzoyl)oxy-5-methoxy-1-methyl-5-oxo-pent-3-enyl] 4-bromobenzoate [(E,2S,3R)-3-(4-bromophenyl)carbonyloxy-6-methoxy-6-oxidanylidene-hex-4-en-2-yl] 4-bromanylbenzoate
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Formula	C21H18Br2O6
InChI	InChI=1S/C21H18Br2O6/c1-13(28-20(25)14-3-7-16(22)8-4-14)18(11-12-19(24)27-2)29-21(26)15-5-9-17(23)10-6-15/h3-13,18H,1-2H3/b12-11+/t13-,18+/m0/s1
InChIKey	CPADAROVUSVVCT-DISDOXMVSA-N
Molecular Weight	526.177 g/mol
SMILES	C(\C=C\[C@]([C@](C)(OC(c1ccc(cc1)Br)=O)[H])(OC(c1ccc(cc1)Br)=O)[H])(=O)OC
SPLASH	splash10-001i-0900020000-b81df738e992fc18a52d
Source of Spectrum	K-2001-3051-11
Wiley ID	1580033