| SpectraBase Spectrum ID |
Gv95crHuZwJ |
| Name |
Allyl N-(4-chlorophenyl)carbamodithioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.994319374 u |
| Formula |
C10H10ClNS2 |
| InChI |
InChI=1S/C10H10ClNS2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H,12,13) |
| InChIKey |
KSJWGECKBDEOKS-UHFFFAOYSA-N |
| Molecular Weight |
243.770 g/mol |
| SMILES |
C(NC1=CC=C(C=C1)Cl)(=S)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906719 |