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4-Butylbenzoic acid, 2-ethoxyethyl ester

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4-Butylbenzoic acid, 2-ethoxyethyl ester
SpectraBase Compound ID ITqRwi6hrYo
InChI InChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)15(16)18-12-11-17-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey VTOOUIUKLJCQFE-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1iCuIFcZZKA
Name 4-Butylbenzoic acid, 2-ethoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)15(16)18-12-11-17-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey VTOOUIUKLJCQFE-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C(C1=CC=C(C=C1)CCCC)(OCCOCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951133