| SpectraBase Spectrum ID |
Aiwnqn0oVqZ |
| Name |
2-(1-Cyano-1-(4-methoxyphenyl))methylene-4-hydroxymethyl-3-allylthiazolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.108899000 u |
| Formula |
C16H18N2O2S |
| InChI |
InChI=1S/C16H18N2O2S/c1-3-8-18-13(10-19)11-21-16(18)15(9-17)12-4-6-14(20-2)7-5-12/h3-7,13,19H,1,8,10-11H2,2H3/b16-15- |
| InChIKey |
UGDDGLLKROCYRK-NXVVXOECSA-N |
| Molecular Weight |
302.392 g/mol |
| SMILES |
C(\C(=C/1N(C(CO)CS1)CC=C)C1=CC=C(C=C1)OC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92857 |
