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Phthalic acid, benzylpropyl ester

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

Phthalic acid, benzylpropyl ester
SpectraBase Compound ID LGjXzl5wJWg
InChI InChI=1S/C18H18O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey HNOJQCCTWMACFZ-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 25SKUQmoEiH
Name Phthalic acid, benzylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey HNOJQCCTWMACFZ-UHFFFAOYSA-N
SMILES C1=C(C(=CC=C1)C(=O)OCC1=CC=CC=C1)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897445