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2-Pentenoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (E)-

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

2-Pentenoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (E)-
SpectraBase Compound ID 3Lh3kUT6DUX
InChI InChI=1S/C15H20O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b13-11+
InChIKey PJAFQMTVNJERIM-ACCUITESSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bpn5JEYeFp2
Name 2-Pentenoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b13-11+
InChIKey PJAFQMTVNJERIM-ACCUITESSA-N
Molecular Weight 232.323 g/mol
SMILES C(\C(=C\C(C)C)C)(=O)OCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976619