| SpectraBase Compound ID | Emk13qmIRKy |
|---|---|
| InChI | InChI=1S/C6H12S/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3 |
| InChIKey | MCSVISNPQJAWJX-UHFFFAOYSA-N |
| Mol Weight | 116.22 g/mol |
| Molecular Formula | C6H12S |
| Exact Mass | 116.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47tEInZomZM |
|---|---|
| Name | 4-Methyl-thiane |
| CAS Registry Number | 5161-17-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H12S |
| InChI | InChI=1S/C6H12S/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3 |
| InChIKey | MCSVISNPQJAWJX-UHFFFAOYSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | R.L. Willer, E.L. Eliel, J. Am. Chem. Soc. 99, 1925 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |