| SpectraBase Spectrum ID |
Ai99U6A8e0I |
| Name |
3,4-Methylendioxy-8-hydroxy-L0-amino-phenanthrencarbonsaure-(1)-lactam |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.053157770 u |
| Formula |
C16H9NO4 |
| InChI |
InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19) |
| InChIKey |
OVACCXPNQSWBBB-UHFFFAOYSA-N |
| SMILES |
C1=C2C(NC=3C2=C(C2=C1OCO2)C=1C(=C(C=CC1)O)C3)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898455 |
