| SpectraBase Spectrum ID |
FtwEmSY1trK |
| Name |
Ethyl N-(4-oxocoumarinyl)methylenecarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.063722453 u |
| Formula |
C13H11NO5 |
| InChI |
InChI=1S/C13H11NO5/c1-2-18-13(17)14-7-9-11(15)8-5-3-4-6-10(8)19-12(9)16/h3-7,9H,2H2,1H3/b14-7+ |
| InChIKey |
YYAGBEZBULFEQX-VGOFMYFVSA-N |
| Molecular Weight |
261.233 g/mol |
| SMILES |
C(\N=C\C1C(OC2=C(C1=O)C=CC=C2)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951158 |
