| SpectraBase Spectrum ID |
8o6ZGSJd4E4 |
| Name |
o-Phenyl 4,4-dimethyl-2-(p-thiocyanatophenyl)-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(13-8-10-15(11-9-13)24-12-18)17(23)21-14-6-4-3-5-7-14/h3-11H,1-2H3 |
| InChIKey |
RSTXMYIDJNFTNE-UHFFFAOYSA-N |
| Molecular Weight |
373.507 g/mol |
| SMILES |
C1=CC(=CC=C1SC#N)N(C(N(C)C)=S)C(=S)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922532 |
