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2,4,4-TRIMETHYLTHIAN

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2,4,4-TRIMETHYLTHIAN
SpectraBase Compound ID 6O6nsUr7Fv4
InChI InChI=1S/C8H16S/c1-7-6-8(2,3)4-5-9-7/h7H,4-6H2,1-3H3
InChIKey SGNYELJNNWONRG-UHFFFAOYSA-N
Mol Weight 144.28 g/mol
Molecular Formula C8H16S
Exact Mass 144.097272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIcZJCyksqE
Name 2,4,4-Trimethyl-thiane
CAS Registry Number 62717-96-8
Comments C7 IS AXIAL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H16S
InChI InChI=1S/C8H16S/c1-7-6-8(2,3)4-5-9-7/h7H,4-6H2,1-3H3
InChIKey SGNYELJNNWONRG-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