| SpectraBase Spectrum ID |
8h7Ye9KtkmN |
| Name |
o-(p-Bromophenyl) 2-phenyl-4,4-dimethyl-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.980918458 u |
| Formula |
C16H15BrN2OS2 |
| InChI |
InChI=1S/C16H15BrN2OS2/c1-18(2)15(21)19(13-6-4-3-5-7-13)16(22)20-14-10-8-12(17)9-11-14/h3-11H,1-2H3 |
| InChIKey |
HTRBTHRZGJOUGK-UHFFFAOYSA-N |
| Molecular Weight |
395.333 g/mol |
| SMILES |
C1=CC=CC=C1N(C(=S)N(C)C)C(OC1=CC=C(Br)C=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908316 |
