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3-Phenylpropionic acid, 2-ethylhexyl ester

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3-Phenylpropionic acid, 2-ethylhexyl ester
SpectraBase Compound ID 6nK53dWTzaI
InChI InChI=1S/C17H26O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3
InChIKey FDMKQERIIWFJGS-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxKnVZ14nnV
Name 3-Phenylpropionic acid, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3
InChIKey FDMKQERIIWFJGS-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C1=CC(CCC(OCC(CCCC)CC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960758