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Phthalic acid, 2-phenoxyethyl propyl ester

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

Phthalic acid, 2-phenoxyethyl propyl ester
SpectraBase Compound ID 6B0WhgHByWh
InChI InChI=1S/C19H20O5/c1-2-12-23-18(20)16-10-6-7-11-17(16)19(21)24-14-13-22-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKey GAJFBWVSAVIBBK-UHFFFAOYSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Qabv0M5UNg
Name Phthalic acid, 2-phenoxyethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.131073739 u
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-2-12-23-18(20)16-10-6-7-11-17(16)19(21)24-14-13-22-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKey GAJFBWVSAVIBBK-UHFFFAOYSA-N
Molecular Weight 328.364 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902223