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Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester
SpectraBase Compound ID 25I4neZyUtt
InChI InChI=1S/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey DPVYDTACPLLHCF-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ISrOxPtin6U
Name Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey DPVYDTACPLLHCF-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1=CC=CC=C1CCOC(=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967342