SpectraBase Spectrum ID |
HtIZedPX4Q7 |
Name |
6'-Chlorothio-4-morpholinecarboxy-o-toluidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
270.059361984 u |
Formula |
C12H15ClN2OS |
InChI |
InChI=1S/C12H15ClN2OS/c1-9-3-2-4-10(13)11(9)14-12(17)15-5-7-16-8-6-15/h2-4H,5-8H2,1H3,(H,14,17) |
InChIKey |
NROYXDDMOMRYNB-UHFFFAOYSA-N |
Molecular Weight |
270.778 g/mol |
SMILES |
N(C1=C(C=CC=C1Cl)C)C(N1CCOCC1)=S |
Spectrum/Structure Validation Score (Raman) |
0.978989 |