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2,6-Heptadienoic acid, 7-phenyl-, methyl ester, (E,E)-
SpectraBase Compound ID AP8Ei9fwEgV
InChI InChI=1S/C14H16O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4-12H,2-3H2,1H3/b9-5+,12-8+
InChIKey OHBADDWFLQZJMB-PIHCAMFYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdqXvknbbeu
Name 2,6-Heptadienoic acid, 7-phenyl-, methyl ester, (E,E)-
Alternate Name(s) Methyl (2E,6E)-7-phenyl-2,6-heptadienoate Methyl (E,E)-7-phenyl-2,6-heptadienoate Methyl 7-phenyl-hepta-2,6-dienoate
CAS Registry Number 129454-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4-12H,2-3H2,1H3/b9-5+,12-8+
InChIKey OHBADDWFLQZJMB-PIHCAMFYSA-N
Molecular Weight 216.280 g/mol
SMILES C(\C=C\CC\C=C\c1ccccc1)(=O)OC
SPLASH splash10-014i-2930000000-1d05b0c964a9b85d22db
Source of Spectrum F-45-7851-31
Wiley ID 1215877