| SpectraBase Compound ID | udbxiCru37 |
|---|---|
| InChI | InChI=1S/C16H24OS/c1-3-5-12-15(17)16(13-6-4-2)18-14-10-8-7-9-11-14/h7-11,16H,3-6,12-13H2,1-2H3 |
| InChIKey | ZSJNLGAOTZRRMN-UHFFFAOYSA-N |
| Mol Weight | 264.43 g/mol |
| Molecular Formula | C16H24OS |
| Exact Mass | 264.154787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29fxkhEH4nE |
|---|---|
| Name | 6-(Phenylthio)-5-decanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.154786566 u |
| Formula | C16H24OS |
| InChI | InChI=1S/C16H24OS/c1-3-5-12-15(17)16(13-6-4-2)18-14-10-8-7-9-11-14/h7-11,16H,3-6,12-13H2,1-2H3 |
| InChIKey | ZSJNLGAOTZRRMN-UHFFFAOYSA-N |
| Molecular Weight | 264.427 g/mol |
| SMILES | C(SC=1C=CC=CC1)(C(=O)CCCC)CCCC |