| SpectraBase Spectrum ID |
B5FfFVvo6C7 |
| Name |
3-[(Methylureido)methylene]-4-oxocoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.064056806 u |
| Formula |
C12H10N2O4 |
| InChI |
InChI=1S/C12H10N2O4/c1-13-12(17)14-6-8-10(15)7-4-2-3-5-9(7)18-11(8)16/h2-6H,1H3,(H2,13,14,17)/b8-6- |
| InChIKey |
AYTKWWUDAJRRDD-VURMDHGXSA-N |
| Molecular Weight |
246.222 g/mol |
| SMILES |
C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/NC(=O)NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978521 |
![3-[(Methylureido)methylene]-4-oxocoumarin](/api/spectrum/B5FfFVvo6C7/structure.png?h=300&w=458 "3-[(Methylureido)methylene]-4-oxocoumarin")
