| SpectraBase Spectrum ID |
I2GqwhFmxO3 |
| Name |
5-o-Methylxanthone V1 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.157288487 u |
| Formula |
C24H24O6 |
| InChI |
InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3 |
| InChIKey |
PZHQEWQFKUTZTQ-UHFFFAOYSA-N |
| Molecular Weight |
408.450 g/mol |
| SMILES |
C12=C(C(CC=C(C)C)=C3C(=C2O)C=CC(O3)(C)C)OC2=C(C1=O)C=CC(=C2OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855687 |
