| SpectraBase Spectrum ID |
9XgAXOTK2dr |
| Name |
7,7'-(Heptamethylenedioxy)dicoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.157288487 u |
| Formula |
C25H24O6 |
| InChI |
InChI=1S/C25H24O6/c26-24-12-8-18-6-10-20(16-22(18)30-24)28-14-4-2-1-3-5-15-29-21-11-7-19-9-13-25(27)31-23(19)17-21/h6-13,16-17H,1-5,14-15H2 |
| InChIKey |
YHGPJKNJOKSEMX-UHFFFAOYSA-N |
| Molecular Weight |
420.461 g/mol |
| SMILES |
C=1C(=CC=C2C=CC(OC12)=O)OCCCCCCCOC=1C=CC=2C=CC(OC2C1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.966136 |
