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2-(2-Bromo-3-methylbenzyl)-3-ethylidene-1-methylcyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID ERme3zE56tI
InChI InChI=1S/C19H25BrO2/c1-5-14-10-7-11-19(3,18(21)22-4)16(14)12-15-9-6-8-13(2)17(15)20/h5-6,8-9,16H,7,10-12H2,1-4H3/b14-5+
InChIKey IYRPROLCUXMCGU-LHHJGKSTSA-N
Mol Weight 365.31 g/mol
Molecular Formula C19H25BrO2
Exact Mass 364.103793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhBLIsEUzj3
Name 2-(2-Bromo-3-methylbenzyl)-3-ethylidene-1-methylcyclohexanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C19H25BrO2
InChI InChI=1S/C19H25BrO2/c1-5-14-10-7-11-19(3,18(21)22-4)16(14)12-15-9-6-8-13(2)17(15)20/h5-6,8-9,16H,7,10-12H2,1-4H3/b14-5+
InChIKey IYRPROLCUXMCGU-LHHJGKSTSA-N
Molecular Weight 365.311 g/mol
SMILES C1(C(C(=O)OC)(CCC\C1=C\C)C)Cc1c(c(C)ccc1)Br
SPLASH splash10-001i-0901000000-3baf543242219ddad391
Source of Spectrum F4-0-1269-10
Synonyms methyl (3E)-2-(2-bromo-3-methylbenzyl)-3-ethylidene-1-methylcyclohexanecarboxylate
Wiley ID 1619531