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Methyl (E,E)-4-phenyl-3,5-hexadienoate

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Methyl (E,E)-4-phenyl-3,5-hexadienoate
SpectraBase Compound ID 9LMKKM45kcA
InChI InChI=1S/C13H14O2/c1-3-11(9-10-13(14)15-2)12-7-5-4-6-8-12/h3-9H,1,10H2,2H3/b11-9+
InChIKey VAVVNSAOXMIPBB-PKNBQFBNSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dfpr5K81iGu
Name Methyl (E,E)-4-phenyl-3,5-hexadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-3-11(9-10-13(14)15-2)12-7-5-4-6-8-12/h3-9H,1,10H2,2H3/b11-9+
InChIKey VAVVNSAOXMIPBB-PKNBQFBNSA-N
Molecular Weight 202.253 g/mol
SMILES C(\C=C/(C=C)C=1C=CC=CC1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952038