| SpectraBase Spectrum ID |
B7kyRf9utLf |
| Name |
Marcanine-E,3-methoxy-8-hydroxy-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 |
299.079372518 u |
| Formula |
C16H13NO5 |
| InChI |
InChI=1S/C16H13NO5/c1-7-10-12(17(2)16(21)15(7)22-3)14(20)11-8(13(10)19)5-4-6-9(11)18/h4-6,18H,1-3H3 |
| InChIKey |
NWPNVTWTINMRHQ-UHFFFAOYSA-N |
| Molecular Weight |
299.282 g/mol |
| SMILES |
CN1C(=O)C(OC)=C(C)C=2C(=O)C3=CC=CC(O)=C3C(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908587 |
