| SpectraBase Spectrum ID |
HRFEKs1Tbbq |
| Name |
o-(m-Chlorophenyl) 4,4-dimethyl-2-phenyl-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.031433158 u |
| Formula |
C16H15ClN2OS2 |
| InChI |
InChI=1S/C16H15ClN2OS2/c1-18(2)15(21)19(13-8-4-3-5-9-13)16(22)20-14-10-6-7-12(17)11-14/h3-11H,1-2H3 |
| InChIKey |
BKWOIDHWYPOFTP-UHFFFAOYSA-N |
| Molecular Weight |
350.882 g/mol |
| SMILES |
C1=CC(=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816939 |
