| SpectraBase Spectrum ID |
HXVTnJvFf59 |
| Name |
o-(p-Tolyl) 2-(p-chlorophenyl)-4,4-dimethyl-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.047083222 u |
| Formula |
C17H17ClN2OS2 |
| InChI |
InChI=1S/C17H17ClN2OS2/c1-12-4-10-15(11-5-12)21-17(23)20(16(22)19(2)3)14-8-6-13(18)7-9-14/h4-11H,1-3H3 |
| InChIKey |
NBNIUSWRBQBYHU-UHFFFAOYSA-N |
| Molecular Weight |
364.909 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=C(C=C1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888273 |
