| SpectraBase Spectrum ID |
Ee3WI6jCjQW |
| Name |
3-(4-Methoxyphenyl)-2-cyano-4-(5-methylene-3-phenethylthiazolidin-2-ylidene)-but-2-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.140533481 u |
| Formula |
C24H21N3OS |
| InChI |
InChI=1S/C24H21N3OS/c1-18-17-27(13-12-19-6-4-3-5-7-19)24(29-18)14-23(21(15-25)16-26)20-8-10-22(28-2)11-9-20/h3-11,14H,1,12-13,17H2,2H3/b24-14- |
| InChIKey |
DBGNYOQEEUQRCY-OYKKKHCWSA-N |
| Molecular Weight |
399.512 g/mol |
| SMILES |
C1N(\C(SC1=C)=C/C(=C(C#N)C#N)C1=CC=C(OC)C=C1)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92134 |
