| SpectraBase Spectrum ID |
2ZCSgWbBw2q |
| Name |
Isounonal, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.089602848 u |
| Formula |
C21H16O7 |
| InChI |
InChI=1S/C21H16O7/c1-11-19(26-12(2)23)15(10-22)21-18(20(11)27-13(3)24)16(25)9-17(28-21)14-7-5-4-6-8-14/h4-10H,1-3H3 |
| InChIKey |
PHAXKGADEYDSGD-UHFFFAOYSA-N |
| Molecular Weight |
380.352 g/mol |
| SMILES |
C1(=CC(C2=C(C(=C(C(=C2O1)C=O)OC(C)=O)C)OC(C)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929766 |
