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1,4-Pentadien-3-yl p-methoxybenzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,4-Pentadien-3-yl p-methoxybenzoate
SpectraBase Compound ID 8BnuDvCkbyG
InChI InChI=1S/C13H14O3/c1-4-11(5-2)16-13(14)10-6-8-12(15-3)9-7-10/h4-9,11H,1-2H2,3H3
InChIKey OAFSIERVVLGEQO-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lhtt2xONKni
Name 1,4-Pentadien-3-yl p-methoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-4-11(5-2)16-13(14)10-6-8-12(15-3)9-7-10/h4-9,11H,1-2H2,3H3
InChIKey OAFSIERVVLGEQO-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C(OC(C=C)C=C)(C=1C=CC(=CC1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947408