| SpectraBase Spectrum ID |
H93y2oJaDJ9 |
| Name |
o-(m-Tolyl) 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 |
330.086055555 u |
| Formula |
C17H18N2OS2 |
| InChI |
InChI=1S/C17H18N2OS2/c1-13-8-7-11-15(12-13)20-17(22)19(16(21)18(2)3)14-9-5-4-6-10-14/h4-12H,1-3H3 |
| InChIKey |
AQJVZIAOEYXERS-UHFFFAOYSA-N |
| Molecular Weight |
330.464 g/mol |
| SMILES |
C1=CC(=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807525 |
