carbamodithioate](/api/spectrum/5C1tDFwAlij/structure.png?h=300&w=458 "[(Furan-2'-yl)methyl](benzoyl)carbamodithioate")
| SpectraBase Compound ID | F13SV4DzFg6 |
|---|---|
| InChI | InChI=1S/C13H11NO2S2/c15-12(10-5-2-1-3-6-10)14-13(17)18-9-11-7-4-8-16-11/h1-8H,9H2,(H,14,15,17) |
| InChIKey | UDCNIIJORZKCMZ-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C13H11NO2S2 |
| Exact Mass | 277.023121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5C1tDFwAlij |
|---|---|
| Name | [(Furan-2'-yl)methyl](benzoyl)carbamodithioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.023120944 u |
| Formula | C13H11NO2S2 |
| InChI | InChI=1S/C13H11NO2S2/c15-12(10-5-2-1-3-6-10)14-13(17)18-9-11-7-4-8-16-11/h1-8H,9H2,(H,14,15,17) |
| InChIKey | UDCNIIJORZKCMZ-UHFFFAOYSA-N |
| SMILES | C(NC(=S)SCC=1OC=CC1)(=O)C1=CC=CC=C1 |