| SpectraBase Spectrum ID |
FrzvNeffxbr |
| Name |
o-(p-Tolyl) 4,4-dimethyl-2-(p-nitrophenyl)-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.071133764 u |
| Formula |
C17H17N3O3S2 |
| InChI |
InChI=1S/C17H17N3O3S2/c1-12-4-10-15(11-5-12)23-17(25)19(16(24)18(2)3)13-6-8-14(9-7-13)20(21)22/h4-11H,1-3H3 |
| InChIKey |
GKIHQJRHJWAVQX-UHFFFAOYSA-N |
| Molecular Weight |
375.461 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=C(C=C1)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85629 |
