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3,4,5-Trimethoxyhippuric acid
SpectraBase Compound ID LauQgAX4qMR
InChI InChI=1S/C12H15NO6/c1-17-8-4-7(12(16)13-6-10(14)15)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey LPQDWMLZTWHXOE-UHFFFAOYSA-N
Mol Weight 269.25 g/mol
Molecular Formula C12H15NO6
Exact Mass 269.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lgbVQhtm7o
Name Reserpine-M
Classification Antihypertensive
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Exact Mass 269.089937201 u
Formula C12H15NO6
InChI InChI=1S/C12H15NO6/c1-17-8-4-7(12(16)13-6-10(14)15)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey LPQDWMLZTWHXOE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 269.253 g/mol
SMILES c1c(C(NCC(=O)O)=O)cc(c(c1OC)OC)OC
SPLASH splash10-0002-4920000000-dfc1ffc43b07cf298913
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 Reserpine-M (trimethoxyhippuric acid)
Technique GC/MS
Wiley ID MMPW6e_1951