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3-(4-Chlorophenyl)-7-formyl-4,6-dimethoxyindole-2-carboxylic acid
SpectraBase Compound ID 9qZ0GSXhDMg
InChI InChI=1S/C18H14ClNO5/c1-24-12-7-13(25-2)15-14(9-3-5-10(19)6-4-9)17(18(22)23)20-16(15)11(12)8-21/h3-8,20H,1-2H3,(H,22,23)
InChIKey IUGUJMBLNLJIHC-UHFFFAOYSA-N
Mol Weight 359.77 g/mol
Molecular Formula C18H14ClNO5
Exact Mass 359.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24wa7239Y88
Name 3-(4-Chlorophenyl)-7-formyl-4,6-dimethoxyindole-2-carboxylic acid
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.056050250 u
Formula C18H14ClNO5
InChI InChI=1S/C18H14ClNO5/c1-24-12-7-13(25-2)15-14(9-3-5-10(19)6-4-9)17(18(22)23)20-16(15)11(12)8-21/h3-8,20H,1-2H3,(H,22,23)
InChIKey IUGUJMBLNLJIHC-UHFFFAOYSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.637
Molecular Weight 359.765 g/mol
SMILES N1C(C(=O)O)=C(C=2C=CC(Cl)=CC2)C2=C1C(=C(C=C2OC)OC)C=O
SPLASH splash10-0bt9-0029000000-635bfabfbbaaae84f826
Source of Spectrum ARK-2022-19-23 (DOI: 10.24820/ark.5550190.p011.637)
Wiley ID 1898080