| SpectraBase Spectrum ID |
KaeW2O2GYS3 |
| Name |
o-(p-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/c1-13-9-11-15(12-10-13)20-17(22)19(16(21)18(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3 |
| InChIKey |
LBJAFMZMZLDJIT-UHFFFAOYSA-N |
| Molecular Weight |
330.464 g/mol |
| SMILES |
C(=S)(N(C(=S)OC1=CC=C(C=C1)C)C1=CC=CC=C1)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893699 |
