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Isaindigotone (3-(3',5'-Dimethoxy-4'-hydroxybenzylidene)-2,3-dihydropyrolo[2,1-b]quinoline-9(1H)-one)
SpectraBase Compound ID 5rabe7ukfjC
InChI InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+
InChIKey UBCUTNIGHUVICE-UKTHLTGXSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NL55f8YXRL
Name Isaindigotone (3-(3',5'-Dimethoxy-4'-hydroxybenzylidene)-2,3-dihydropyrolo[2,1-b]quinoline-9(1H)-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O4
InChI InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+
InChIKey UBCUTNIGHUVICE-UKTHLTGXSA-N
Molecular Weight 350.374 g/mol
SMILES Oc1c(cc(\C=C\2C=3N(C(c4ccccc4N3)=O)CC2)cc1OC)OC
SPLASH splash10-0udi-0009000000-65de57474bc8b7d7d991
Source of Spectrum F-53-13327-2
Wiley ID 803693