| SpectraBase Spectrum ID |
1f9gupgqmtu |
| Name |
Sulochrin, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.110732215 u |
| Formula |
C21H20O9 |
| InChI |
InChI=1S/C21H20O9/c1-10-6-15(24)19(17(7-10)30-12(3)23)20(25)18-14(21(26)28-5)8-13(29-11(2)22)9-16(18)27-4/h6-9,24H,1-5H3 |
| InChIKey |
OGGYEOJGJDEPDZ-UHFFFAOYSA-N |
| Molecular Weight |
416.382 g/mol |
| SMILES |
COC(C1=CC(OC(C)=O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1OC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940928 |
