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Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester

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

Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester
SpectraBase Compound ID Jgf83hK3WCU
InChI InChI=1S/C15H22O2/c1-5-14(13-9-7-6-8-10-13)15(16)17-12(4)11(2)3/h6-12,14H,5H2,1-4H3
InChIKey BYYOPFNWBWBMHY-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I4Lfe5YdRqd
Name Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-5-14(13-9-7-6-8-10-13)15(16)17-12(4)11(2)3/h6-12,14H,5H2,1-4H3
InChIKey BYYOPFNWBWBMHY-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(C(C(OC(C(C)C)C)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961647