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Benzeneacetic acid, .alpha.-(1-methylpentylidene)-, ethyl ester, (Z)-
SpectraBase Compound ID Ihkz22VO9i4
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-SQFISAMPSA-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 B78yAAL7iza
Name Benzeneacetic acid, .alpha.-(1-methylpentylidene)-, ethyl ester, (Z)-
CAS Registry Number 112151-76-5
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-SQFISAMPSA-N
Molecular Weight 246.350 g/mol
SMILES C(\C(=C/(CCCC)C)c1ccccc1)(=O)OCC
SPLASH splash10-0fka-0690000000-d6357b78e9e35d64a6d1
Source of Spectrum J-53-610-0
Synonyms (Z)-1-Butyl-1-methyl-2-phenyl-2-ethoxycarbonylethene Ethyl (2Z)-3-methyl-2-phenyl-2-heptenoate
Wiley ID 1249402