carbamodithioate](/api/spectrum/4SGfVY207eR/structure.png?h=300&w=458 "[(Furan-2'-yl)methyl](p-nitrobenzoyl)carbamodithioate")
| SpectraBase Compound ID | 4XsRqAUNKDv |
|---|---|
| InChI | InChI=1S/C13H10N2O4S2/c16-12(9-3-5-10(6-4-9)15(17)18)14-13(20)21-8-11-2-1-7-19-11/h1-7H,8H2,(H,14,16,20) |
| InChIKey | MSSCMDLPEVCEAP-UHFFFAOYSA-N |
| Mol Weight | 322.35 g/mol |
| Molecular Formula | C13H10N2O4S2 |
| Exact Mass | 322.008199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SGfVY207eR |
|---|---|
| Name | [(Furan-2'-yl)methyl](p-nitrobenzoyl)carbamodithioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.008199154 u |
| Formula | C13H10N2O4S2 |
| InChI | InChI=1S/C13H10N2O4S2/c16-12(9-3-5-10(6-4-9)15(17)18)14-13(20)21-8-11-2-1-7-19-11/h1-7H,8H2,(H,14,16,20) |
| InChIKey | MSSCMDLPEVCEAP-UHFFFAOYSA-N |
| Molecular Weight | 322.353 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(NC(=S)SCC=2OC=CC2)=O)C=C1 |