| SpectraBase Spectrum ID |
H4aWWqde8Q9 |
| Name |
Liriolignal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.167853170 u |
| Formula |
C21H26O7 |
| InChI |
InChI=1S/C21H26O7/c1-13(7-14-8-16(23-2)20(27-6)17(9-14)24-3)28-21-18(25-4)10-15(12-22)11-19(21)26-5/h8-13H,7H2,1-6H3 |
| InChIKey |
NYBQHRWGTOVYAL-UHFFFAOYSA-N |
| Molecular Weight |
390.432 g/mol |
| SMILES |
C1(OC)=CC(=CC(=C1OC)OC)CC(C)OC1=C(OC)C=C(C=O)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862919 |
