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Methyl 5-acetoxy-4-bromo-2-hexenoate
SpectraBase Compound ID Edfd6sUiRhK
InChI InChI=1S/C9H13BrO4/c1-6(14-7(2)11)8(10)4-5-9(12)13-3/h4-6,8H,1-3H3/b5-4+/t6-,8+/m0/s1
InChIKey NNFDTINREBYLTI-KIEHPGSMSA-N
Mol Weight 265.1 g/mol
Molecular Formula C9H13BrO4
Exact Mass 263.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpKCcAAOGHR
Name Methyl 5-acetoxy-4-bromo-2-hexenoate
Alternate Name(s) (E)-(4R,5S)-5-Acetoxy-4-bromo-hex-2-enoic acid methyl ester Methyl (2E)-5-(acetyloxy)-4-bromo-2-hexenoate
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Formula C9H13BrO4
InChI InChI=1S/C9H13BrO4/c1-6(14-7(2)11)8(10)4-5-9(12)13-3/h4-6,8H,1-3H3/b5-4+/t6-,8+/m0/s1
InChIKey NNFDTINREBYLTI-KIEHPGSMSA-N
Molecular Weight 265.103 g/mol
SMILES C(\C=C\[C@]([C@@](OC(=O)C)(C)[H])(Br)[H])(=O)OC
SPLASH splash10-0006-9100000000-89da7be9e0efc4dad306
Source of Spectrum Y4-87-673-18
Wiley ID 840463