| SpectraBase Spectrum ID |
AQ7ZKbSxHtN |
| Name |
Yerrinquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.058302719 u |
| Formula |
C14H12O7 |
| InChI |
InChI=1S/C14H12O7/c1-19-9-5-8(16)11-10(12(9)17)7(15)4-6(13(11)20-2)14(18)21-3/h4-5,15H,1-3H3 |
| InChIKey |
IQNNCIUGIWEXCC-UHFFFAOYSA-N |
| Molecular Weight |
292.243 g/mol |
| SMILES |
COC(=O)C=1C(OC)=C2C(=O)C=C(OC)C(=O)C2=C(O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927857 |
