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methyl 5,7-dimethoxy-4-[(E)-3-oxoprop-1-enyl]-1H-indole-2-carboxylate
SpectraBase Compound ID 2FSWyiuG6B7
InChI InChI=1S/C15H15NO5/c1-19-12-8-13(20-2)14-10(9(12)5-4-6-17)7-11(16-14)15(18)21-3/h4-8,16H,1-3H3/b5-4+
InChIKey CBSOTESAAJDMGQ-SNAWJCMRSA-N
Mol Weight 289.29 g/mol
Molecular Formula C15H15NO5
Exact Mass 289.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j9ZWmdAnoS
Name methyl 5,7-dimethoxy-4-[(E)-3-oxoprop-1-enyl]-1H-indole-2-carboxylate
Appearance Crimson prisms
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Formula C15H15NO5
InChI InChI=1S/C15H15NO5/c1-19-12-8-13(20-2)14-10(9(12)5-4-6-17)7-11(16-14)15(18)21-3/h4-8,16H,1-3H3/b5-4+
InChIKey CBSOTESAAJDMGQ-SNAWJCMRSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.399
SMILES [nH]1c(cc2c(c(cc(c12)OC)OC)\C=C\C=O)C(OC)=O
SPLASH splash10-0kbr-0090000000-0197358f6e4ff49d9fa4
Source of Spectrum ARK-2020-183-18
Thin-Layer Chromatography Rf = 0.25 (2% MeOH/CH2Cl2)
Wiley ID 1860406