| SpectraBase Spectrum ID |
Lm0ga9Yyf8C |
| 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- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.137615668 u |
| 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 |
C1(\C(=C\2C(C=3C(=C(OC)C(=CC3N2)OC)OC)=O)NC=2C=C(C(=C(C12)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939343 |
