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3-(2-bromo-5-methoxy-benzyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID 3AdVdzrIqDu
InChI InChI=1S/C18H21BrO4/c1-4-23-18(21)14-6-8-17(20)15(11(14)2)10-12-9-13(22-3)5-7-16(12)19/h5,7,9,14H,4,6,8,10H2,1-3H3
InChIKey BWSVDXXOUSFGAO-UHFFFAOYSA-N
Mol Weight 381.27 g/mol
Molecular Formula C18H21BrO4
Exact Mass 380.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jUk4Iws95X
Name 3-(2-bromo-5-methoxy-benzyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester
Alternate Name(s) 3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester Ethyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Ethyl 3-[(2-bromo-5-methoxy-phenyl)methyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
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Formula C18H21BrO4
InChI InChI=1S/C18H21BrO4/c1-4-23-18(21)14-6-8-17(20)15(11(14)2)10-12-9-13(22-3)5-7-16(12)19/h5,7,9,14H,4,6,8,10H2,1-3H3
InChIKey BWSVDXXOUSFGAO-UHFFFAOYSA-N
Molecular Weight 381.266 g/mol
SMILES C1(=C(C(C(=O)OCC)CCC1=O)C)Cc1c(ccc(c1)OC)Br
SPLASH splash10-004i-3964000000-c2c1e5d80740c97d014a
Source of Spectrum J-59-2690-7
Wiley ID 1359578