| SpectraBase Spectrum ID |
Gzj4qWgYRtR |
| Name |
2-Imino-3-methyl-1-phenyl-4-imidazolidinone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.100776669 u |
| Formula |
C12H13N3O2 |
| InChI |
InChI=1S/C12H13N3O2/c1-9(16)13-12-14(2)11(17)8-15(12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b13-12+ |
| InChIKey |
MLIWZJURCKNTHU-OUKQBFOZSA-N |
| Molecular Weight |
231.255 g/mol |
| SMILES |
C1(N(\C(N(C1)C1=CC=CC=C1)=N/C(C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911629 |
