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Isophthalic acid, di(pent-4-enyl) ester

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Isophthalic acid, di(pent-4-enyl) ester
SpectraBase Compound ID Kizg7L4qVfO
InChI InChI=1S/C18H22O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h3-4,9-11,14H,1-2,5-8,12-13H2
InChIKey NYNZBEXGNHUGPM-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6KtmyOga4eK
Name Isophthalic acid, di(pent-4-enyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h3-4,9-11,14H,1-2,5-8,12-13H2
InChIKey NYNZBEXGNHUGPM-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)C(=O)OCCCC=C)C(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934656