| SpectraBase Spectrum ID |
LbrbexE3BUj |
| Name |
o-(p-Nitrophenyl) 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 |
361.055483700 u |
| Formula |
C16H15N3O3S2 |
| InChI |
InChI=1S/C16H15N3O3S2/c1-17(2)15(23)18(12-6-4-3-5-7-12)16(24)22-14-10-8-13(9-11-14)19(20)21/h3-11H,1-2H3 |
| InChIKey |
CQRMIHSPAFDMOU-UHFFFAOYSA-N |
| Molecular Weight |
361.434 g/mol |
| SMILES |
C1=CC(=CC=C1)N(C(N(C)C)=S)C(OC1=CC=C(C=C1)N(=O)=O)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880434 |
