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Phthalic acid, methyl 3-phenylpropyl ester

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

Phthalic acid, methyl 3-phenylpropyl ester
SpectraBase Compound ID 2rB6FDLq7Vb
InChI InChI=1S/C18H18O4/c1-21-17(19)15-11-5-6-12-16(15)18(20)22-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKey LIUNKDANLPYMGN-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 FL1czfgGaBT
Name Phthalic acid, methyl 3-phenylpropyl 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/c1-21-17(19)15-11-5-6-12-16(15)18(20)22-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKey LIUNKDANLPYMGN-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1C(=O)OC)C(OCCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888757