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3,5-Dimethoxy-4-phenylmethoxy-benzoic acid

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

3,5-Dimethoxy-4-phenylmethoxy-benzoic acid
SpectraBase Compound ID B4RSvFy7DHd
InChI InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey OVCCGNWMGBKDIZ-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCW0Ab6yRVw
Name 3,5-Dimethoxy-4-phenylmethoxy-benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.099773610 u
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey OVCCGNWMGBKDIZ-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CC1OC)C(=O)O)OC)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854635