| SpectraBase Spectrum ID |
BYLNeOjch5G |
| Name |
(2Z)-2-(3-Benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.140199128 u |
| Formula |
C18H22N2O2S |
| InChI |
InChI=1S/C18H22N2O2S/c1-18(2,3)22-17(21)15(12-19)16-20(10-7-11-23-16)13-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,13H2,1-3H3/b16-15- |
| InChIKey |
QAYULLYAMAVAGI-NXVVXOECSA-N |
| Molecular Weight |
330.446 g/mol |
| SMILES |
C(N1\C(=C\(C(OC(C)(C)C)=O)C#N)SCCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864768 |
