![1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one](/api/spectrum/7tIGwmG5vfJ/structure.png?h=300&w=458 "1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one")
| SpectraBase Compound ID | ApTpYfSvJ9J |
|---|---|
| InChI | InChI=1S/C11H14OS2/c12-11(9-14-8-4-7-13)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | UWUVVFULXLLOTJ-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C11H14OS2 |
| Exact Mass | 226.048607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tIGwmG5vfJ |
|---|---|
| Name | 1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.048607418 u |
| Formula | C11H14OS2 |
| InChI | InChI=1S/C11H14OS2/c12-11(9-14-8-4-7-13)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | UWUVVFULXLLOTJ-UHFFFAOYSA-N |
| Molecular Weight | 226.352 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)CSCCCS |