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Isophthalic acid, hexyl pent-4-enyl ester

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Isophthalic acid, hexyl pent-4-enyl ester
SpectraBase Compound ID DmH3eLtkRJR
InChI InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3
InChIKey OLEAGAUWVXSJDI-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 2Kdb67k87kJ
Name Isophthalic 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/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3
InChIKey OLEAGAUWVXSJDI-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCC)C(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936712