| SpectraBase Spectrum ID |
jHmCJDPbjm |
| Name |
Ficusal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-22-17-10-13(4-5-14(17)21)15(7-8-19)24-16-6-3-12(11-20)9-18(16)23-2/h3-7,9-11,19,21H,8H2,1-2H3/b15-7+ |
| InChIKey |
LOZOYNXUQLYESB-VIZOYTHASA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
C1(O\C(C2=CC(OC)=C(C=C2)O)=C/CO)=C(C=C(C=C1)C=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911769 |
