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Phthalic acid, 2-pentyl propyl ester

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

Phthalic acid, 2-pentyl propyl ester
SpectraBase Compound ID Dv4Gt2UbAr5
InChI InChI=1S/C16H22O4/c1-4-8-12(3)20-16(18)14-10-7-6-9-13(14)15(17)19-11-5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey HKPHFSRONKBHQZ-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KjYALKldska
Name Phthalic acid, 2-pentyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-8-12(3)20-16(18)14-10-7-6-9-13(14)15(17)19-11-5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey HKPHFSRONKBHQZ-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES CCCOC(C1=C(C=CC=C1)C(OC(CCC)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835319