SpectraBase Spectrum ID |
4HyEy95w8rG |
Name |
3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.079038165 u |
Formula |
C17H14O6 |
InChI |
InChI=1S/C17H14O6/c1-21-10-4-5-11-14(8-10)23-17(16(20)15(11)19)9-3-6-13(22-2)12(18)7-9/h3-8,18,20H,1-2H3 |
InChIKey |
LSCPEQZEOMKWEF-UHFFFAOYSA-N |
Molecular Weight |
314.293 g/mol |
SMILES |
C12=C(OC(=C(C2=O)O)C2=CC(=C(OC)C=C2)O)C=C(C=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825126 |