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Benzoic acid, 6-hydroxy-2,3-dimethoxy-, phenylmethyl ester

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

Benzoic acid, 6-hydroxy-2,3-dimethoxy-, phenylmethyl ester
SpectraBase Compound ID FgGmJrqsZCe
InChI InChI=1S/C16H16O5/c1-19-13-9-8-12(17)14(15(13)20-2)16(18)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKey HKRGBDMRFLWKMB-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 BVfU8e9sdHd
Name Benzoic acid, 6-hydroxy-2,3-dimethoxy-, phenylmethyl ester
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/c1-19-13-9-8-12(17)14(15(13)20-2)16(18)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKey HKRGBDMRFLWKMB-UHFFFAOYSA-N
SMILES C1(C(OCC=2C=CC=CC2)=O)=C(C(OC)=CC=C1O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927951