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Benzeneacetic acid, .alpha.-(1-methylpentylidene)-, ethyl ester, (E)-
SpectraBase Compound ID EQOUdnycHgo
InChI InChI=1S/C16H22O2/c1-4-6-10-13(3)15(16(17)18-5-2)14-11-8-7-9-12-14/h7-9,11-12H,4-6,10H2,1-3H3/b15-13+
InChIKey ZDYOCWRACLHCIL-FYWRMAATSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGtv8tYiMON
Name Benzeneacetic acid, .alpha.-(1-methylpentylidene)-, ethyl ester, (E)-
CAS Registry Number 112151-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-4-6-10-13(3)15(16(17)18-5-2)14-11-8-7-9-12-14/h7-9,11-12H,4-6,10H2,1-3H3/b15-13+
InChIKey ZDYOCWRACLHCIL-FYWRMAATSA-N
Molecular Weight 246.350 g/mol
SMILES C(\C(=C\(CCCC)C)c1ccccc1)(=O)OCC
SPLASH splash10-006t-0490000000-0f847a34a1ecf41403f5
Source of Spectrum J-53-610-0
Synonyms (E)-1-Butyl-1-methyl-2-phenyl-2-ethoxycarbonylethene Ethyl (2E)-3-methyl-2-phenyl-2-heptenoate
Wiley ID 1249403