| SpectraBase Spectrum ID |
BgL8yAC3dxL |
| Name |
Marcanine-B,3-methoxy-N,4-dimethyl-1-aza-2,9,10-anthracenetrione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.084457899 u |
| Formula |
C16H13NO4 |
| InChI |
InChI=1S/C16H13NO4/c1-8-11-12(17(2)16(20)15(8)21-3)14(19)10-7-5-4-6-9(10)13(11)18/h4-7H,1-3H3 |
| InChIKey |
HAOZFNOODAJKHH-UHFFFAOYSA-N |
| SMILES |
CN1C(=O)C(OC)=C(C)C=2C(=O)C3=CC=CC=C3C(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913193 |
