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Ethyl 2-(4-sec-butylphenyl)butanoate

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

Ethyl 2-(4-sec-butylphenyl)butanoate
SpectraBase Compound ID EOKHl1yFt5e
InChI InChI=1S/C16H24O2/c1-5-12(4)13-8-10-14(11-9-13)15(6-2)16(17)18-7-3/h8-12,15H,5-7H2,1-4H3
InChIKey HGLVAILYEVNQGH-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8QevolzKt4A
Name Ethyl 2-(4-sec-butylphenyl)butanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-5-12(4)13-8-10-14(11-9-13)15(6-2)16(17)18-7-3/h8-12,15H,5-7H2,1-4H3
InChIKey HGLVAILYEVNQGH-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(C(C=1C=CC(=CC1)C(CC)C)CC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811566