| SpectraBase Spectrum ID |
8KwbPkldPTN |
| Name |
N,o,o-Tris(ethoxycarbonyl)-5-methoxy-1,4-dihydroxy-9,10-anthraquinone 10-imine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.132195935 u |
| Formula |
C24H23NO10 |
| InChI |
InChI=1S/C24H23NO10/c1-5-31-22(27)25-20-17-13(9-8-10-14(17)30-4)21(26)19-16(35-24(29)33-7-3)12-11-15(18(19)20)34-23(28)32-6-2/h8-12H,5-7H2,1-4H3/b25-20+ |
| InChIKey |
KYRVATOZIBMOSL-LKUDQCMESA-N |
| Molecular Weight |
485.445 g/mol |
| SMILES |
C=12C(C(=O)C3=C(\C2=N\C(=O)OCC)C(OC)=CC=C3)=C(OC(=O)OCC)C=CC1OC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967672 |
