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4,4,5-Trimethyl-1,3,2-dioxathiane 2-oxide

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4,4,5-Trimethyl-1,3,2-dioxathiane 2-oxide
SpectraBase Compound ID 4gUFiXLxcdX
InChI InChI=1S/C6H12O3S/c1-5-4-8-10(7)9-6(5,2)3/h5H,4H2,1-3H3
InChIKey UKZCGZCPZTUFFR-UHFFFAOYSA-N
Mol Weight 164.22 g/mol
Molecular Formula C6H12O3S
Exact Mass 164.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmYepfZ5jkw
Name 4,4,5E-Trimethyl-1,3,2-dioxathiane 2a-oxide
Comments C4 AXIAL, C5 EQUATORIAL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O3S
InChI InChI=1S/C6H12O3S/c1-5-4-8-10(7)9-6(5,2)3/h5H,4H2,1-3H3
InChIKey UKZCGZCPZTUFFR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.G. Hellier, A.M. Phillips, Org. Magn. Resonance 18, 178 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3