| SpectraBase Spectrum ID |
KMmrubYr6cz |
| Name |
2,5-Dimethyl-1,1-diphenyl-2-pseudodithiobiuret |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.086389907 u |
| Formula |
C16H17N3S2 |
| InChI |
InChI=1S/C16H17N3S2/c1-17-15(20)18-16(21-2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,17,20)/b18-16- |
| InChIKey |
ZGZBOJXRNVYVBP-VLGSPTGOSA-N |
| Molecular Weight |
315.453 g/mol |
| SMILES |
C1(=CC=CC=C1)N(C=1C=CC=CC1)\C(=N\C(NC)=S)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924021 |
