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4-Chloro-4-methyl-1,2-oxathiane 2-oxide

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4-Chloro-4-methyl-1,2-oxathiane 2-oxide
SpectraBase Compound ID FYwof7GeYri
InChI InChI=1S/C5H9ClO2S/c1-5(6)2-3-8-9(7)4-5/h2-4H2,1H3
InChIKey PZYHIZAEBDTDHH-UHFFFAOYSA-N
Mol Weight 168.64 g/mol
Molecular Formula C5H9ClO2S
Exact Mass 168.001178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15EJ6WBrX5s
Name 4-CHLORO-4-METHYL-1,2-OXATHIANE, 2-OXIDE
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1982)
CAS Registry Number 53911-71-0
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9ClO2S
InChI InChI=1S/C5H9ClO2S/c1-5(6)2-3-8-9(7)4-5/h2-4H2,1H3
InChIKey PZYHIZAEBDTDHH-UHFFFAOYSA-N
Molecular Weight 168.64
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms 1,2-OXATHIANE, 4-CHLORO-4-METHYL-, 2-OXIDE