| SpectraBase Spectrum ID |
3Vc0m0YksI9 |
| Name |
3,5-Dihydroxy-1,8-dimethoxy-4-(methoxycarbonyl)-9H-xanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.068867403 u |
| Formula |
C17H14O8 |
| InChI |
InChI=1S/C17H14O8/c1-22-9-5-4-7(18)15-12(9)14(20)13-10(23-2)6-8(19)11(16(13)25-15)17(21)24-3/h4-6,18-19H,1-3H3 |
| InChIKey |
IUQPNOLLXDPGDO-UHFFFAOYSA-N |
| Molecular Weight |
346.291 g/mol |
| SMILES |
C1(C=2C(=CC(=C(C2OC=2C(=CC=C(C12)OC)O)C(=O)OC)O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96293 |
