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Methyl 4-methyl-3-phenylhex-4-enoate
SpectraBase Compound ID 4KwxpueWUL4
InChI InChI=1S/C14H18O2/c1-4-11(2)13(10-14(15)16-3)12-8-6-5-7-9-12/h4-9,13H,10H2,1-3H3
InChIKey ONVXGGXQQBFIAK-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bOpB9Gu6AC
Name Methyl 4-methyl-3-phenylhex-4-enoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-4-11(2)13(10-14(15)16-3)12-8-6-5-7-9-12/h4-9,13H,10H2,1-3H3
InChIKey ONVXGGXQQBFIAK-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.72
Molecular Weight 218.296 g/mol
SMILES c1cc(ccc1)C(CC(=O)OC)C(=CC)C
SPLASH splash10-00mk-0920000000-91a3b704292f0a85f99f
Sample Comments E/Z = 60:40
Source of Spectrum BJO-8-SM10-5g
Wiley ID 1867419