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Phthalic acid, 4-octyl propyl ester

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Phthalic acid, 4-octyl propyl ester
SpectraBase Compound ID 7ymdJGp9vx1
InChI InChI=1S/C19H28O4/c1-4-7-11-15(10-5-2)23-19(21)17-13-9-8-12-16(17)18(20)22-14-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey WDWBTAXVFVKIAD-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K9RgnE25tDw
Name Phthalic acid, 4-octyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-7-11-15(10-5-2)23-19(21)17-13-9-8-12-16(17)18(20)22-14-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey WDWBTAXVFVKIAD-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES CCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931123