| SpectraBase Spectrum ID |
KKCALc6K082 |
| Name |
6-Hydroxy-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.126657064 u |
| Formula |
C19H18N2O4 |
| InChI |
InChI=1S/C19H18N2O4/c22-16-4-3-14-18(23)17(10-13-2-1-5-20-11-13)25-19(14)15(16)12-21-6-8-24-9-7-21/h1-5,10-11,22H,6-9,12H2/b17-10- |
| InChIKey |
FUIVWNVEDNSISY-YVLHZVERSA-N |
| Molecular Weight |
338.363 g/mol |
| SMILES |
C1=2O\C(=C/C=3C=NC=CC3)C(C1=CC=C(C2CN1CCOCC1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881573 |