| SpectraBase Spectrum ID |
2vb3dMdauuL |
| Name |
1-(2,4,6-Trihydroxy-5-(methoxycarbonyl)phenyl)-3-(3-hydroxy-4-methoxyphenyl)propanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.100167532 u |
| Formula |
C18H18O8 |
| InChI |
InChI=1S/C18H18O8/c1-25-14-6-4-9(7-11(14)20)3-5-10(19)15-12(21)8-13(22)16(17(15)23)18(24)26-2/h4,6-8,20-23H,3,5H2,1-2H3 |
| InChIKey |
PIIYZJWZPBJQSW-UHFFFAOYSA-N |
| Molecular Weight |
362.334 g/mol |
| SMILES |
C=1(C(=C(C(=O)CCC=2C=C(O)C(=CC2)OC)C(=CC1O)O)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921486 |
