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 Google Search
Mol Weight	350.37 g/mol
Molecular Formula	C20H18N2O4
Exact Mass	350.126657 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	J7q9lg0bBru
Name	Isaindigotone (3-(3',5'-dimethoxy-4'-hydroxybenzylidene)-2,3-dihydropyrolo[2,1-B]quinoline-9(1H)-one)
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	350.126657064 u
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	C1=2N(C(C3=CC=CC=C3N2)=O)CC\C1=C\C=1C=C(C(O)=C(C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.83145