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3,4,5-Trimethoxyhippuric acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, 1 MS (GC), and 2 MS (LC)

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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BAPJUvDygRd
Name 3,4,5-Trimethoxyhippuric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 269.253 g/mol
SMILES N(C(C1=CC(=C(C(=C1)OC)OC)OC)=O)CC(O)=O
Spectrum/Structure Validation Score (Raman) 0.988709