| SpectraBase Spectrum ID |
Bveh6q0K7Sa |
| Name |
o-Phenyl 4,4-dimethyl-2-(2-naphthyl)-1,3-dithioallophanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.086055555 u |
| Formula |
C20H18N2OS2 |
| InChI |
InChI=1S/C20H18N2OS2/c1-21(2)19(24)22(20(25)23-18-10-4-3-5-11-18)17-13-12-15-8-6-7-9-16(15)14-17/h3-14H,1-2H3 |
| InChIKey |
OCFRZYICTJQZBB-UHFFFAOYSA-N |
| Molecular Weight |
366.497 g/mol |
| SMILES |
C1=CC=CC(=C1)OC(=S)N(C(N(C)C)=S)C1=CC2=C(C=C1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900809 |
