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4-METHYLTHIAN

View entire compound with spectra: 17 NMR, and 5 MS (GC)

4-METHYLTHIAN
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqK0vB1cBsp
Name 4-Methyl-thiane
CAS Registry Number 5161-17-1
Comments MAJOR ISOMER
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 CD2Cl2