| SpectraBase Spectrum ID |
AiFbGz9kZoK |
| Name |
3-Dimethylamino-2-(4-chlorphenyl)-thioacrylic acid, thiomorpholide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.067818668 u |
| Formula |
C15H19ClN2S2 |
| InChI |
InChI=1S/C15H19ClN2S2/c1-17(2)11-14(12-3-5-13(16)6-4-12)15(19)18-7-9-20-10-8-18/h3-6,11H,7-10H2,1-2H3/b14-11+ |
| InChIKey |
PKBWPXWPVGORSG-SDNWHVSQSA-N |
| Molecular Weight |
326.904 g/mol |
| SMILES |
CN(C)\C=C\(C(=S)N1CCSCC1)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956056 |
