SpectraBase Spectrum ID |
ChZveftPlIr |
Name |
2-Furanone, 3-[(dimethylamino)methylidene]-5-[[5-oxo-2(5H)-furanyliden]methyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.068807834 u |
Formula |
C12H11NO4 |
InChI |
InChI=1S/C12H11NO4/c1-13(2)7-8-5-10(17-12(8)15)6-9-3-4-11(14)16-9/h3-7H,1-2H3/b8-7-,9-6+ |
InChIKey |
YURBPCHZFZUXLF-SOKJVCRVSA-N |
Molecular Weight |
233.223 g/mol |
SMILES |
C1(\C(C=C(O1)\C=C/1OC(=O)C=C1)=C/N(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97897 |