| SpectraBase Compound ID | BGtTC1dPi2s |
|---|---|
| InChI | InChI=1S/C10H13NOS2/c1-13-10(9(11)12)14-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H2,11,12) |
| InChIKey | MOKGNTKBCOKDHU-UHFFFAOYSA-N |
| Mol Weight | 227.34 g/mol |
| Molecular Formula | C10H13NOS2 |
| Exact Mass | 227.043856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a6zPnad7BH |
|---|---|
| Name | 1-Phenyl-3-(aminocarbonyl)-2,4-dithiapentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.043856390 u |
| Formula | C10H13NOS2 |
| InChI | InChI=1S/C10H13NOS2/c1-13-10(9(11)12)14-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H2,11,12) |
| InChIKey | MOKGNTKBCOKDHU-UHFFFAOYSA-N |
| Molecular Weight | 227.340 g/mol |
| SMILES | C(C(SCC1=CC=CC=C1)SC)(=O)N |