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METHYL-2,2-DIMETHYL-5-PHENYL-4-PENTENOATE
SpectraBase Compound ID FJvM80lSQgU
InChI InChI=1S/C14H18O2/c1-14(2,13(15)16-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKey MPIFFKUPRXYFKK-JXMROGBWSA-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 FlPRrdaUixc
Name Methyl (E)-2,2-dimethyl-5-phenylpent-4-enoate
Appearance Colorless liquid
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Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2,13(15)16-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKey MPIFFKUPRXYFKK-JXMROGBWSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710895
Molecular Weight 218.296 g/mol
Quality 115
Reported Formula C14H18O2
SMILES C(OC)(C(C\C=C\C1=CC=CC=C1)(C)C)=O
SPLASH splash10-014i-0900000000-8fbcd175daa45ddb026c
Source of Spectrum ACI-57-SM42-13o (DOI: 10.1002/anie.201710895)
Wiley ID 1890778