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trans-2-tert-BUTYL-5-(METHYLTHIO)-m-DITHIANE
SpectraBase Compound ID 7X7idB4pFNF
InChI InChI=1S/C9H18S3/c1-9(2,3)8-11-5-7(10-4)6-12-8/h7-8H,5-6H2,1-4H3/t7-,8-
InChIKey DELLKARGGRAKAJ-ZKCHVHJHSA-N
Mol Weight 222.42 g/mol
Molecular Formula C9H18S3
Exact Mass 222.057064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3K5QGQtnPvP
Name trans-2-tert-Butyl-5-methylthio-1,3-dithiane
CAS Registry Number 68449-94-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18S3
InChI InChI=1S/C9H18S3/c1-9(2,3)8-11-5-7(10-4)6-12-8/h7-8H,5-6H2,1-4H3/t7-,8-
InChIKey DELLKARGGRAKAJ-ZKCHVHJHSA-N
Instrument Name Varian XL-100
Literature Reference E.L. Eliel, E. Juaristi, J. Am. Chem. Soc. 100, 6114 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3