SpectraBase Spectrum ID |
5yBbOBLGv5B |
Name |
5-(m-Chlorobenzylidene)-3-ethylhydantoin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.050905300 u |
Formula |
C12H11ClN2O2 |
InChI |
InChI=1S/C12H11ClN2O2/c1-2-15-11(16)10(14-12(15)17)7-8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17) |
InChIKey |
AJKYSZDPUJGVRW-UHFFFAOYSA-N |
Molecular Weight |
250.685 g/mol |
SMILES |
N1C(C(N(C1=O)CC)=O)=CC1=CC=CC(=C1)Cl |
Spectrum/Structure Validation Score (Raman) |
0.86257 |