| SpectraBase Spectrum ID |
DWfZrUNuq44 |
| Name |
4-Hydroxy-3-(4-oxo-4H-1-benzopyran-3-yl)methylcoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.068473481 u |
| Formula |
C19H12O5 |
| InChI |
InChI=1S/C19H12O5/c20-17-11(10-23-15-7-3-1-5-12(15)17)9-14-18(21)13-6-2-4-8-16(13)24-19(14)22/h1-8,10,21H,9H2 |
| InChIKey |
NLZQJWHBNLZWRM-UHFFFAOYSA-N |
| Molecular Weight |
320.300 g/mol |
| SMILES |
C1(OC=2C=CC=CC2C(=C1CC1=COC=2C(C1=O)=CC=CC2)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89781 |
