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S-TERT.-BUTYLCHLOROTHIOLACETAT
SpectraBase Compound ID DwQFXc0u9Zy
InChI InChI=1S/C6H11ClOS/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKey LORMCYKBVHFQNQ-UHFFFAOYSA-N
Mol Weight 166.67 g/mol
Molecular Formula C6H11ClOS
Exact Mass 166.021914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pr6XzrFA0u
Name CHLOROTHIOACETIC ACID, S-tert-BUTYL ESTER
Source of Sample C. M. Hall, J. Wemple J. Org. Chem. 42, 2118 (1977)
CAS Registry Number 56377-45-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11ClOS
InChI InChI=1S/C6H11ClOS/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKey LORMCYKBVHFQNQ-UHFFFAOYSA-N
Molecular Weight 166.67
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, CHLOROTHIO-, S-tert-BUTYL ESTER