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Benzenepropanoic acid, 3,4-dimethoxy-5-(phenylmethoxy)-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Benzenepropanoic acid, 3,4-dimethoxy-5-(phenylmethoxy)-
SpectraBase Compound ID J45wS956F04
InChI InChI=1S/C18H20O5/c1-21-15-10-14(8-9-17(19)20)11-16(18(15)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,20)
InChIKey LPBCEPCPEBQEIW-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AlFUDcN9ZVu
Name Benzenepropanoic acid, 3,4-dimethoxy-5-(phenylmethoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-21-15-10-14(8-9-17(19)20)11-16(18(15)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,20)
InChIKey LPBCEPCPEBQEIW-UHFFFAOYSA-N
Molecular Weight 316.353 g/mol
SMILES C1(=C(OCC=2C=CC=CC2)C=C(CCC(=O)O)C=C1OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92301