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5,5-Dimethyl-2-oxo-1,3,2-dioxathiepane
SpectraBase Compound ID H7lsiuuLcyy
InChI InChI=1S/C6H12O3S/c1-6(2)3-4-8-10(7)9-5-6/h3-5H2,1-2H3
InChIKey GQFLFDFAGNDYJG-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 IWsr6pB5WG1
Name 5,5-Dimethyl-2-oxo-1,3,2-dioxathiepane
CAS Registry Number 89720-68-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O3S
InChI InChI=1S/C6H12O3S/c1-6(2)3-4-8-10(7)9-5-6/h3-5H2,1-2H3
InChIKey GQFLFDFAGNDYJG-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference A.C. Guimaraes, P.G. Almeida, L. Cazaux, Org. Magn. Resonance 21, 711 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3