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Phthalic acid, hexyl pent-4-enyl ester

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

Phthalic acid, hexyl pent-4-enyl ester
SpectraBase Compound ID J8Ek2BiyO79
InChI InChI=1S/C19H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h4,8-9,12-13H,2-3,5-7,10-11,14-15H2,1H3
InChIKey BMLLAEYCSKOAGC-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E1E2mI97XeF
Name Phthalic acid, hexyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h4,8-9,12-13H,2-3,5-7,10-11,14-15H2,1H3
InChIKey BMLLAEYCSKOAGC-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCC)=O)C(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879665