| SpectraBase Spectrum ID |
1HsCu7EqTLk |
| Name |
Norcepharadione-B |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.084457899 u |
| Formula |
C18H13NO4 |
| InChI |
InChI=1S/C18H13NO4/c1-22-13-8-11-14-12(19-18(21)16(11)20)7-9-5-3-4-6-10(9)15(14)17(13)23-2/h3-8H,1-2H3,(H,19,21) |
| InChIKey |
BAGGDUOPTSQTHD-UHFFFAOYSA-N |
| Molecular Weight |
307.305 g/mol |
| SMILES |
C1(NC2=CC3=CC=CC=C3C=3C2=C(C1=O)C=C(C3OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930927 |
