| SpectraBase Spectrum ID |
LU143ZtPwKk |
| Name |
o-(4-Biphenylyl) 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 |
392.101705619 u |
| Formula |
C22H20N2OS2 |
| InChI |
InChI=1S/C22H20N2OS2/c1-23(2)21(26)24(19-11-7-4-8-12-19)22(27)25-20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16H,1-2H3 |
| InChIKey |
YLJQNMUHKJEOTN-UHFFFAOYSA-N |
| Molecular Weight |
392.535 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901113 |
