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(1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID GUB3NXNDuo6
InChI InChI=1S/C16H19BrO3/c1-20-16(19)14-5-3-2-4-12(14)10-15(18)11-6-8-13(17)9-7-11/h6-9,12,14H,2-5,10H2,1H3/t12-,14+/m1/s1
InChIKey PGAZNLSJCCNWCR-OCCSQVGLSA-N
Mol Weight 339.23 g/mol
Molecular Formula C16H19BrO3
Exact Mass 338.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gzKspzJxj1
Name (1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxo-ethyl]cyclohexanecarboxylate Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylate
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Formula C16H19BrO3
InChI InChI=1S/C16H19BrO3/c1-20-16(19)14-5-3-2-4-12(14)10-15(18)11-6-8-13(17)9-7-11/h6-9,12,14H,2-5,10H2,1H3/t12-,14+/m1/s1
InChIKey PGAZNLSJCCNWCR-OCCSQVGLSA-N
Molecular Weight 339.229 g/mol
SMILES C([C@@]1([C@@](CC(c2ccc(cc2)Br)=O)(CCCC1)[H])[H])(=O)OC
SPLASH splash10-0zgt-0920000000-45bbbe690339f1305dc8
Source of Spectrum K-126-1939-5
Wiley ID 1333507