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(1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cycloheptanecarboxylic acid methyl ester
SpectraBase Compound ID HWiPWLbq7a1
InChI InChI=1S/C17H21BrO3/c1-21-17(20)15-6-4-2-3-5-13(15)11-16(19)12-7-9-14(18)10-8-12/h7-10,13,15H,2-6,11H2,1H3/t13-,15+/m1/s1
InChIKey KFLULNCYLDNEHN-HIFRSBDPSA-N
Mol Weight 353.26 g/mol
Molecular Formula C17H21BrO3
Exact Mass 352.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au9EPkRXWe1
Name (1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cycloheptanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]-1-cycloheptanecarboxylic acid methyl ester Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxo-ethyl]cycloheptanecarboxylate Methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]cycloheptane-1-carboxylate
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Formula C17H21BrO3
InChI InChI=1S/C17H21BrO3/c1-21-17(20)15-6-4-2-3-5-13(15)11-16(19)12-7-9-14(18)10-8-12/h7-10,13,15H,2-6,11H2,1H3/t13-,15+/m1/s1
InChIKey KFLULNCYLDNEHN-HIFRSBDPSA-N
Molecular Weight 353.256 g/mol
SMILES C([C@@]1([C@@](CC(c2ccc(cc2)Br)=O)(CCCCC1)[H])[H])(=O)OC
SPLASH splash10-0fj1-5935000000-a91d86532af658639e42
Source of Spectrum K-126-1940-7
Wiley ID 1343066