| SpectraBase Spectrum ID |
FDD8cJlVYnR |
| Name |
o-(p-Tolyl) 4,4-dimethyl-2-(p-tolyl)-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.101705619 u |
| Formula |
C18H20N2OS2 |
| InChI |
InChI=1S/C18H20N2OS2/c1-13-5-9-15(10-6-13)20(17(22)19(3)4)18(23)21-16-11-7-14(2)8-12-16/h5-12H,1-4H3 |
| InChIKey |
FRNFYYJYTGHTAY-UHFFFAOYSA-N |
| Molecular Weight |
344.491 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=C(C=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891506 |
