| SpectraBase Spectrum ID |
AitvBsnHKIh |
| Name |
Xanthumin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3 |
| InChIKey |
DPSCQKGSAHTWSP-UHFFFAOYSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
C=1(C(CC2C(CC1)C(=C)C(O2)=O)C)C(CC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928732 |
