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3H-Indol-3-one, 2-(1,3-dihydro-4,5,6-trimethoxy-3-oxo-2H-indol-2-ylidene)-1,2-dihydro -4,5,6-trimethoxy-
SpectraBase Compound ID Bre8SZZHLU1
InChI InChI=1S/C22H22N2O8/c1-27-11-7-9-13(21(31-5)19(11)29-3)17(25)15(23-9)16-18(26)14-10(24-16)8-12(28-2)20(30-4)22(14)32-6/h7-8,23-24H,1-6H3/b16-15+
InChIKey YTXWRQTWEOQUHU-FOCLMDBBSA-N
Mol Weight 442.42 g/mol
Molecular Formula C22H22N2O8
Exact Mass 442.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IodEvyOg8up
Name 3H-Indol-3-one, 2-(1,3-dihydro-4,5,6-trimethoxy-3-oxo-2H-indol-2-ylidene)-1,2-dihydro -4,5,6-trimethoxy-
CAS Registry Number 80981-90-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O8
InChI InChI=1S/C22H22N2O8/c1-27-11-7-9-13(21(31-5)19(11)29-3)17(25)15(23-9)16-18(26)14-10(24-16)8-12(28-2)20(30-4)22(14)32-6/h7-8,23-24H,1-6H3/b16-15+
InChIKey YTXWRQTWEOQUHU-FOCLMDBBSA-N
Molecular Weight 442.424 g/mol
SMILES N1c2cc(c(c(c2C(\C1=C\1C(c2c(c(OC)c(cc2N1)OC)OC)=O)=O)OC)OC)OC
SPLASH splash10-0006-0000900000-441b596261c808c39e85
Source of Spectrum KC-1981-2909-0
Synonyms 4,4',5,5',6,6'-Hexamethoxyindigo 4,5,6-trimethoxy-2-[(2E)-4,5,6-trimethoxy-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-2,3-dihydro-1H-indol-3-one
Wiley ID 1385249