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Phthalic acid, furfuryl hexyl ester

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

Phthalic acid, furfuryl hexyl ester
SpectraBase Compound ID BDOdO4WdpRp
InChI InChI=1S/C19H26O5/c1-2-3-4-7-12-23-18(20)16-10-5-6-11-17(16)19(21)24-14-15-9-8-13-22-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3
InChIKey CSZFYGJJOCWEES-UHFFFAOYSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID g7F9ZCm5lh
Name Phthalic acid, furfuryl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-2-3-4-7-12-23-18(20)16-10-5-6-11-17(16)19(21)24-14-15-9-8-13-22-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3
InChIKey CSZFYGJJOCWEES-UHFFFAOYSA-N
Molecular Weight 334.412 g/mol
SMILES CCCCCCOC(C=1C(C(=O)OCC2CCCO2)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904053