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Phthalic acid, 2-ethoxyethyl butyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-ethoxyethyl butyl ester
SpectraBase Compound ID 72fWCXtLMHN
InChI InChI=1S/C16H22O5/c1-3-5-10-20-15(17)13-8-6-7-9-14(13)16(18)21-12-11-19-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKey IWBBILRPQDNSTH-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID QQl3dYYFJd
Name Phthalic acid, 2-ethoxyethyl butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.146723803 u
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-3-5-10-20-15(17)13-8-6-7-9-14(13)16(18)21-12-11-19-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKey IWBBILRPQDNSTH-UHFFFAOYSA-N
Molecular Weight 294.347 g/mol
SMILES C1(=C(C=CC=C1)C(=O)OCCOCC)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844374