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Benzyl-3,4,5-trihydroxybenzoate

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

Benzyl-3,4,5-trihydroxybenzoate
SpectraBase Compound ID DeojOvIHO2N
InChI InChI=1S/C14H12O5/c15-11-6-10(7-12(16)13(11)17)14(18)19-8-9-4-2-1-3-5-9/h1-7,15-17H,8H2
InChIKey HPCCQNGKAFBWAU-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4WDl4k7ZtGz
Name Benzyl-3,4,5-trihydroxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.068473481 u
Formula C14H12O5
InChI InChI=1S/C14H12O5/c15-11-6-10(7-12(16)13(11)17)14(18)19-8-9-4-2-1-3-5-9/h1-7,15-17H,8H2
InChIKey HPCCQNGKAFBWAU-UHFFFAOYSA-N
Molecular Weight 260.245 g/mol
SMILES C=1(O)C(=C(C=C(C(=O)OCC2=CC=CC=C2)C1)O)O
Spectrum/Structure Validation Score (Raman) 0.972016