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2,4,6-Trihydroxybenzoic acid methyl ester
SpectraBase Compound ID DWwtOJjDdWk
InChI InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
InChIKey AQDIJIAUYXOCGX-UHFFFAOYSA-N
Mol Weight 184.15 g/mol
Molecular Formula C8H8O5
Exact Mass 184.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtpCjlLZp8e
Name Methyl 2,4,6-trihydroxybenzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.037173353 u
Formula C8H8O5
GC Column FS-Supreme-5 (L = 30 m, diameter = 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
InChIKey AQDIJIAUYXOCGX-UHFFFAOYSA-N
Instrument Name HP6890N-HP5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607494
Quality 284
SMILES OC=1C=C(C(=C(C1)O)C(=O)OC)O
SPLASH splash10-0ul0-1900000000-25593d19c7adc9cd93e6
Source of Spectrum ACI-55-SM8-9 (DOI: 10.1002/anie.201607494)
Thin-Layer Chromatography 0.42 (cyclohexane/ethyl acetate, 2:1 v/v)
Wiley ID 1899355