| SpectraBase Spectrum ID |
5GJdc12cKTA |
| Name |
Nevadensin, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.110732215 u |
| Formula |
C22H20O9 |
| InChI |
InChI=1S/C22H20O9/c1-11(23)29-18-17-15(25)10-16(13-6-8-14(26-3)9-7-13)31-19(17)21(28-5)22(20(18)27-4)30-12(2)24/h6-10H,1-5H3 |
| InChIKey |
KGCZCIUUZQHJAX-UHFFFAOYSA-N |
| Molecular Weight |
428.393 g/mol |
| SMILES |
CC(=O)OC1=C2C(=O)C=C(C3=CC=C(OC)C=C3)OC2=C(OC)C(OC(C)=O)=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804157 |
