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Adipic acid, 3-ethylphenyl propyl ester

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

Adipic acid, 3-ethylphenyl propyl ester
SpectraBase Compound ID GApGU0ZO5QE
InChI InChI=1S/C17H24O4/c1-3-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(4-2)13-15/h7-9,13H,3-6,10-12H2,1-2H3
InChIKey AWODLNSZSHGYHU-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5U4laFAmkoR
Name Adipic acid, 3-ethylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-3-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(4-2)13-15/h7-9,13H,3-6,10-12H2,1-2H3
InChIKey AWODLNSZSHGYHU-UHFFFAOYSA-N
SMILES C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851034