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4,4-Dimethyl-1,3,2-dioxathiepane 2-oxide

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4,4-Dimethyl-1,3,2-dioxathiepane 2-oxide
SpectraBase Compound ID 7I1MrVBSWfZ
InChI InChI=1S/C6H12O3S/c1-6(2)4-3-5-8-10(7)9-6/h3-5H2,1-2H3
InChIKey PFXSHIZGRSVOCW-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 2dWtnPU8EWd
Name 4,4-Dimethyl-1,3,2-dioxathiepane 2-oxide
CAS Registry Number 122945-33-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O3S
InChI InChI=1S/C6H12O3S/c1-6(2)4-3-5-8-10(7)9-6/h3-5H2,1-2H3
InChIKey PFXSHIZGRSVOCW-UHFFFAOYSA-N
Instrument Name Bruker AM-200
Literature Reference D.G. Hellier, H.G. Liddy, Magn. Res. Chem. 27, 431 (1989).
NMR Standard soluted
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3