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2-Veratroylbenzoic acid methyl ester

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

2-Veratroylbenzoic acid methyl ester
SpectraBase Compound ID IFW76brwcjN
InChI InChI=1S/C17H16O5/c1-20-14-9-8-11(10-15(14)21-2)16(18)12-6-4-5-7-13(12)17(19)22-3/h4-10H,1-3H3
InChIKey BAPKWBAHJUNONI-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FbvRxaOYRp7
Name 2-Veratroylbenzoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.099773610 u
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-20-14-9-8-11(10-15(14)21-2)16(18)12-6-4-5-7-13(12)17(19)22-3/h4-10H,1-3H3
InChIKey BAPKWBAHJUNONI-UHFFFAOYSA-N
SMILES C(C=1C(=CC=CC1)C(C=1C=C(C(=CC1)OC)OC)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937677