| SpectraBase Compound ID | 5P7XMprV2ZR |
|---|---|
| InChI | InChI=1S/C7H12OS/c8-7-3-1-5-9-6-2-4-7/h1-6H2 |
| InChIKey | JEAURVWXXNRTKE-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1cJfD8QdVg |
|---|---|
| Name | 1-Thiacyclooctanone-5;5-thiocanone |
| CAS Registry Number | 20701-80-8 |
| Comments | Enrichment/Labelling, DIOXANE/H2O=8:1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c8-7-3-1-5-9-6-2-4-7/h1-6H2 |
| InChIKey | JEAURVWXXNRTKE-UHFFFAOYSA-N |
| Instrument Name | SF = 060 MHz |
| Literature Reference | Helv. Chim. Acta 55, 909 (1972). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Dioxane |