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4-Methyl-3-phenyl-valeric acid ethyl ester

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

4-Methyl-3-phenyl-valeric acid ethyl ester
SpectraBase Compound ID v5SF25gSRY
InChI InChI=1S/C14H20O2/c1-4-16-14(15)10-13(11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKey HZXKNMFPTRERPG-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 829shGLAb89
Name 4-Methyl-3-phenyl-valeric acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-4-16-14(15)10-13(11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKey HZXKNMFPTRERPG-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CC(=O)OCC)(C=1C=CC=CC1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951487