| SpectraBase Spectrum ID |
BdzTUch2pI5 |
| Name |
o-(p-Nitrophenyl)-S-(p-nitrophenyl)-dithiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.987463709 u |
| Formula |
C13H8N2O5S2 |
| InChI |
InChI=1S/C13H8N2O5S2/c16-14(17)9-1-5-11(6-2-9)20-13(21)22-12-7-3-10(4-8-12)15(18)19/h1-8H |
| InChIKey |
VEJZCOJPKDKKMF-UHFFFAOYSA-N |
| Molecular Weight |
336.336 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(SC(=S)OC2=CC=C(N(=O)=O)C=C2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931389 |
