| SpectraBase Compound ID | 70IX3QcHDzA |
|---|---|
| InChI | InChI=1S/C17H18OS2/c1-14(20-17-10-6-3-7-11-17)12-15(18)13-19-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3 |
| InChIKey | NXMPJECWHBBKNM-UHFFFAOYSA-N |
| Mol Weight | 302.45 g/mol |
| Molecular Formula | C17H18OS2 |
| Exact Mass | 302.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZT9jFRoQbA |
|---|---|
| Name | 1,4-bis(Phenylsulfanyl)pentan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.079907547 u |
| Formula | C17H18OS2 |
| InChI | InChI=1S/C17H18OS2/c1-14(20-17-10-6-3-7-11-17)12-15(18)13-19-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3 |
| InChIKey | NXMPJECWHBBKNM-UHFFFAOYSA-N |
| Molecular Weight | 302.450 g/mol |
| SMILES | C(SC=1C=CC=CC1)(CC(=O)CSC=1C=CC=CC1)C |