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Phthalic acid, hex-3-yl propyl ester

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

Phthalic acid, hex-3-yl propyl ester
SpectraBase Compound ID IDZPlw1RukV
InChI InChI=1S/C17H24O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey KLKFDTKTJGXMTE-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9f5LPh4iw4g
Name Phthalic acid, hex-3-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey KLKFDTKTJGXMTE-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1C(OC(CC)CCC)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882574