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Ethyl 4-(4-acetylphenyl)butanoate

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

Ethyl 4-(4-acetylphenyl)butanoate
SpectraBase Compound ID 4IP3ocl2EXY
InChI InChI=1S/C14H18O3/c1-3-17-14(16)6-4-5-12-7-9-13(10-8-12)11(2)15/h7-10H,3-6H2,1-2H3
InChIKey AIWVXEZVUBWIOG-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5pVJ1xe6hB0
Name Ethyl 4-(4-acetylphenyl)butanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-17-14(16)6-4-5-12-7-9-13(10-8-12)11(2)15/h7-10H,3-6H2,1-2H3
InChIKey AIWVXEZVUBWIOG-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(=O)(OCC)CCCC=1C=CC(C(=O)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931024