| SpectraBase Spectrum ID |
IF0eLSrlBq3 |
| Name |
o-(p-Thiocyanatophenyl) 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 |
373.037725636 u |
| Formula |
C17H15N3OS3 |
| InChI |
InChI=1S/C17H15N3OS3/c1-19(2)16(22)20(13-6-4-3-5-7-13)17(23)21-14-8-10-15(11-9-14)24-12-18/h3-11H,1-2H3 |
| InChIKey |
PWOMLGIETHMLPM-UHFFFAOYSA-N |
| Molecular Weight |
373.507 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC=CC=C1)SC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869806 |
