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Dipent-4-enyl phthalate

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Dipent-4-enyl phthalate
SpectraBase Compound ID 5axQXOvJtIC
InChI InChI=1S/C18H22O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h3-4,7-8,11-12H,1-2,5-6,9-10,13-14H2
InChIKey CMNXQCDLELQIQH-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 48IuvStahwj
Name Dipent-4-enyl phthalate
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/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h3-4,7-8,11-12H,1-2,5-6,9-10,13-14H2
InChIKey CMNXQCDLELQIQH-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)OCCCC=C)C(=O)OCCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801422