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3,4,5-Trimethoxybenzoic acid
SpectraBase Compound ID 92cLCskDZdR
InChI InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey SJSOFNCYXJUNBT-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YFXK4ZTgax
Name Trimethoxybenzoic acid @
Classification Antihypertensive Neuroleptic
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Exact Mass 212.068473481 u
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey SJSOFNCYXJUNBT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 212.201 g/mol
SMILES c1c(cc(c(c1OC)OC)OC)C(O)=O
SPLASH splash10-03dj-6940000000-5857fcb2f659e3a7fbb7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Dilazep-M/artifact (trimethoxybenzoic acid) Hexobendine-M/artifact (trimethoxybenzoic acid) Metofenazate-M/artifact (trimethoxybenzoic acid) Reserpine-M (trimethoxybenzoic acid) Trimebutine-M (TMBA)
Technique GC/MS
Wiley ID MMPW6e_1949