SpectraBase Spectrum ID |
504oBZg6WfU |
Name |
3,4,4-Trimethyl-5-methylene-2-phenylimino-1,3-thiazolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.103419697 u |
Formula |
C13H16N2S |
InChI |
InChI=1S/C13H16N2S/c1-10-13(2,3)15(4)12(16-10)14-11-8-6-5-7-9-11/h5-9H,1H2,2-4H3/b14-12- |
InChIKey |
BARWCIKYJPMGQC-OWBHPGMISA-N |
Molecular Weight |
232.345 g/mol |
SMILES |
C1(N(\C(SC1=C)=N\C=1C=CC=CC1)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963511 |