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4,6-Dimethoxy-3-methylindole-2,7-dicarboxylic acid
SpectraBase Compound ID CLR0xmFqwAj
InChI InChI=1S/C13H13NO6/c1-5-8-6(19-2)4-7(20-3)9(12(15)16)11(8)14-10(5)13(17)18/h4,14H,1-3H3,(H,15,16)(H,17,18)
InChIKey NRQABPYIZCTQBT-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C13H13NO6
Exact Mass 279.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3WmUjTYhjG
Name 4,6-Dimethoxy-3-methylindole-2,7-dicarboxylic acid
Appearance Colorless solid
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Exact Mass 279.074287137 u
Formula C13H13NO6
InChI InChI=1S/C13H13NO6/c1-5-8-6(19-2)4-7(20-3)9(12(15)16)11(8)14-10(5)13(17)18/h4,14H,1-3H3,(H,15,16)(H,17,18)
InChIKey NRQABPYIZCTQBT-UHFFFAOYSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.637
Quality 21
SMILES N1C(C(=O)O)=C(C=2C(=CC(=C(C12)C(=O)O)OC)OC)C
SPLASH splash10-014i-0290000000-ae9c7bc440a3b0dc8262
Source of Spectrum ARK-2022-17-18 (DOI: 10.24820/ark.5550190.p011.637)
Wiley ID 1898076