| SpectraBase Spectrum ID |
AiGnbResZsZ |
| Name |
Ethyl 1-[4',7'-dihydroxycoumarin-3'-yl]-1- [4-hydroxycoumarin-3'-yl] acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.079432086 u |
| Formula |
C22H16O9 |
| InChI |
InChI=1S/C22H16O9/c1-10(23)31-22(2,16-18(25)12-5-3-4-6-14(12)29-20(16)27)17-19(26)13-8-7-11(24)9-15(13)30-21(17)28/h3-9,24-26H,1-2H3 |
| InChIKey |
FJBZDIUURSQFLN-UHFFFAOYSA-N |
| Molecular Weight |
424.361 g/mol |
| SMILES |
C1(C(C2=C(C=3C=CC(=CC3OC2=O)O)O)(OC(=O)C)C)=C(C=2C=CC=CC2OC1=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92531 |
![Ethyl 1-[4',7'-dihydroxycoumarin-3'-yl]-1- [4-hydroxycoumarin-3'-yl] acetate](/api/spectrum/AiGnbResZsZ/structure.png?h=300&w=458 "Ethyl 1-[4',7'-dihydroxycoumarin-3'-yl]-1- [4-hydroxycoumarin-3'-yl] acetate")
