| SpectraBase Spectrum ID |
JErXiapKrX3 |
| Name |
7-Hydroxy-6-methoxyisoflavone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.084123546 u |
| Formula |
C18H14O5 |
| InChI |
InChI=1S/C18H14O5/c1-11(19)23-17-9-15-13(8-16(17)21-2)18(20)14(10-22-15)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey |
QIGZEMSYJWBWHH-UHFFFAOYSA-N |
| Molecular Weight |
310.305 g/mol |
| SMILES |
C1(=CC=CC=C1)C=1C(C2=CC(=C(C=C2OC1)OC(C)=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95575 |
