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3-Methyl-2-butenoic acid, 3-phenyl-2-propenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Methyl-2-butenoic acid, 3-phenyl-2-propenyl ester
SpectraBase Compound ID 9JlwoNsPq7i
InChI InChI=1S/C14H16O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,11H,10H2,1-2H3/b9-6+
InChIKey WJFMVLKBFDAIAF-RMKNXTFCSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2q5vkuTmaGx
Name 3-Methyl-2-butenoic acid, 3-phenyl-2-propenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.115029753 u
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,11H,10H2,1-2H3/b9-6+
InChIKey WJFMVLKBFDAIAF-RMKNXTFCSA-N
Molecular Weight 216.280 g/mol
SMILES C1=CC=CC=C1\C=C\COC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983229