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trans-3,4-Dimethyl-thiane

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trans-3,4-Dimethyl-thiane
SpectraBase Compound ID 2pn0xqeO3D
InChI InChI=1S/C7H14S/c1-6-3-4-8-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKey JLSMLKZFQHSQRA-RNFRBKRXSA-N
Mol Weight 130.25 g/mol
Molecular Formula C7H14S
Exact Mass 130.081622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hT3kmOcVwI
Name trans-3,4-Dimethyl-thiane
CAS Registry Number 61568-49-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H14S
InChI InChI=1S/C7H14S/c1-6-3-4-8-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKey JLSMLKZFQHSQRA-RNFRBKRXSA-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