| SpectraBase Spectrum ID |
5XCcQPajcfd |
| Name |
o-Phenyl 4,4-dimethyl-2-(p-tolyl)-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/c1-13-9-11-14(12-10-13)19(16(21)18(2)3)17(22)20-15-7-5-4-6-8-15/h4-12H,1-3H3 |
| InChIKey |
QEFIXTHELWITKO-UHFFFAOYSA-N |
| Molecular Weight |
330.464 g/mol |
| SMILES |
C1=CC=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908923 |
