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Methyl (E,E)-5-methyl-6-phenylhexa-3,5-dienoate

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Methyl (E,E)-5-methyl-6-phenylhexa-3,5-dienoate
SpectraBase Compound ID 51AgHxdNIWs
InChI InChI=1S/C14H16O2/c1-12(7-6-10-14(15)16-2)11-13-8-4-3-5-9-13/h3-9,11H,10H2,1-2H3/b7-6+,12-11+
InChIKey ONDHYFDRAQMPGR-PHFMIZANSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HNtT4GLqLsX
Name Methyl (E,E)-5-methyl-6-phenylhexa-3,5-dienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.115029753 u
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-12(7-6-10-14(15)16-2)11-13-8-4-3-5-9-13/h3-9,11H,10H2,1-2H3/b7-6+,12-11+
InChIKey ONDHYFDRAQMPGR-PHFMIZANSA-N
Molecular Weight 216.280 g/mol
SMILES C(\C=C\C(=C\C=1C=CC=CC1)C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922407