| SpectraBase Spectrum ID |
H5Wm2Gonpq7 |
| Name |
Gnaphaliin, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.100167532 u |
| Formula |
C21H18O8 |
| InChI |
InChI=1S/C21H18O8/c1-11(22)27-14-10-15(28-12(2)23)19(25-3)20-16(14)17(24)21(26-4)18(29-20)13-8-6-5-7-9-13/h5-10H,1-4H3 |
| InChIKey |
WJFALGCABSSPIQ-UHFFFAOYSA-N |
| Molecular Weight |
398.367 g/mol |
| SMILES |
CC(=O)OC1=C2C(=O)C(OC)=C(C3=CC=CC=C3)OC2=C(OC)C(OC(C)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942663 |
