| SpectraBase Spectrum ID |
AaxFwavfUiQ |
| Name |
o-(p-Acetylphenyl) 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 |
358.080970174 u |
| Formula |
C18H18N2O2S2 |
| InChI |
InChI=1S/C18H18N2O2S2/c1-13(21)14-9-11-16(12-10-14)22-18(24)20(17(23)19(2)3)15-7-5-4-6-8-15/h4-12H,1-3H3 |
| InChIKey |
ADUONPKODJFYBT-UHFFFAOYSA-N |
| Molecular Weight |
358.474 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=CC=C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912497 |
