| SpectraBase Spectrum ID |
IwRfP3bIWcG |
| Name |
T-Butyl 2-cyano-2-{[(ethylthio)methylidene]amino}-3-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.140199128 u |
| Formula |
C17H22N2O2S |
| InChI |
InChI=1S/C17H22N2O2S/c1-5-22-13-19-17(12-18,15(20)21-16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3/b19-13+ |
| InChIKey |
LFVMQILSMXPLPI-CPNJWEJPSA-N |
| Molecular Weight |
318.435 g/mol |
| SMILES |
C(C(OC(C)(C)C)=O)(C#N)(\N=C\SCC)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814182 |
![t-Butyl 2-cyano-2-{[(ethylthio)methylidene]amino}-3-phenylpropanoate](/api/spectrum/IwRfP3bIWcG/structure.png?h=300&w=458 "t-Butyl 2-cyano-2-{[(ethylthio)methylidene]amino}-3-phenylpropanoate")
