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

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

2-Pentenoic acid, 2,4-dimethyl-, phenylmethyl ester, (E)-
SpectraBase Compound ID FeQqngixI4Z
InChI InChI=1S/C14H18O2/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/b12-9+
InChIKey CWJJTNGZOOISQM-FMIVXFBMSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7aX2CUmBQ5G
Name 2-Pentenoic acid, 2,4-dimethyl-, phenylmethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/b12-9+
InChIKey CWJJTNGZOOISQM-FMIVXFBMSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C(=C\C(C)C)C)(OCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965815