| SpectraBase Spectrum ID |
4gbkPS21D3H |
| Name |
N'-(4-Chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.075346401 u |
| Formula |
C15H16ClN3S |
| InChI |
InChI=1S/C15H16ClN3S/c1-19(11-12-4-3-9-17-10-12)15(20-2)18-14-7-5-13(16)6-8-14/h3-10H,11H2,1-2H3/b18-15- |
| InChIKey |
NKDACMAVHILIPX-SDXDJHTJSA-N |
| Molecular Weight |
305.827 g/mol |
| SMILES |
C(N(\C(SC)=N/C1=CC=C(C=C1)Cl)C)C1=CN=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93188 |
