SpectraBase Spectrum ID |
Ah31EBr9Bej |
Name |
(5Z)-5-[(E)-3-Phenylprop-2-enylidene]-2-sulfanylidene-4-imidazolidinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.051384123 u |
Formula |
C12H10N2OS |
InChI |
InChI=1S/C12H10N2OS/c15-11-10(13-12(16)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)/b7-4+,10-8- |
InChIKey |
LGQKHJZJGVVDAQ-DODKFZKMSA-N |
Molecular Weight |
230.285 g/mol |
SMILES |
C1(\C(NC(N1)=S)=C\C=C\C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916218 |