| SpectraBase Spectrum ID |
JcQy8u397nT |
| Name |
1,1-Diamyl-3-(3-chlorophenyl)thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.158347751 u |
| Formula |
C17H27ClN2S |
| InChI |
InChI=1S/C17H27ClN2S/c1-3-5-7-12-20(13-8-6-4-2)17(21)19-16-11-9-10-15(18)14-16/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,21) |
| InChIKey |
UHYOVXICYJXNSC-UHFFFAOYSA-N |
| Molecular Weight |
326.930 g/mol |
| SMILES |
C(NC=1C=C(Cl)C=CC1)(=S)N(CCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921366 |
