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Phthalic acid, furfuryl pentyl ester

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

Phthalic acid, furfuryl pentyl ester
SpectraBase Compound ID KnfYtuzpoUA
InChI InChI=1S/C18H24O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3
InChIKey LOYMNARPILCIOV-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ARtWV3qgQn8
Name Phthalic acid, furfuryl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.162373868 u
Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3
InChIKey LOYMNARPILCIOV-UHFFFAOYSA-N
Molecular Weight 320.385 g/mol
SMILES C1COC(C1)COC(C1=CC=CC=C1C(=O)OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863369