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(E)-(3-Phenylallyl) 3-oxobutyrate

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

(E)-(3-Phenylallyl) 3-oxobutyrate
SpectraBase Compound ID 9uhhcyX4uQY
InChI InChI=1S/C13H14O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3/b8-5+
InChIKey BDCAQAAKRKWXFW-VMPITWQZSA-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 CnmIwXmhadX
Name (E)-(3-Phenylallyl) 3-oxobutyrate
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/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3/b8-5+
InChIKey BDCAQAAKRKWXFW-VMPITWQZSA-N
Molecular Weight 218.252 g/mol
SMILES C(C(=O)OC\C=C\C=1C=CC=CC1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973498