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3-(4-Chlorophenyl)-4,6-dimethoxyindole-2-carboxylic acid
SpectraBase Compound ID Dmzg075o1II
InChI InChI=1S/C17H14ClNO4/c1-22-11-7-12-15(13(8-11)23-2)14(16(19-12)17(20)21)9-3-5-10(18)6-4-9/h3-8,19H,1-2H3,(H,20,21)
InChIKey JKMCSWPCFSKDMT-UHFFFAOYSA-N
Mol Weight 331.75 g/mol
Molecular Formula C17H14ClNO4
Exact Mass 331.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbGgKFIVsw1
Name 3-(4-Chlorophenyl)-4,6-dimethoxyindole-2-carboxylic acid
Appearance Colorless solid
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Exact Mass 331.061135631 u
Formula C17H14ClNO4
InChI InChI=1S/C17H14ClNO4/c1-22-11-7-12-15(13(8-11)23-2)14(16(19-12)17(20)21)9-3-5-10(18)6-4-9/h3-8,19H,1-2H3,(H,20,21)
InChIKey JKMCSWPCFSKDMT-UHFFFAOYSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.637
SMILES N1C(C(=O)O)=C(C=2C(=CC(=CC12)OC)OC)C1=CC=C(C=C1)Cl
SPLASH splash10-01qi-0039000000-2ae1053d081db090594b
Source of Spectrum ARK-2022-17-16 (DOI: 10.24820/ark.5550190.p011.637)
Wiley ID 1898074