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2-Acetyl-2-ethyl-4H-3,1-benzoxathiine
SpectraBase Compound ID 3C6up4uAo9h
InChI InChI=1S/C12H14O2S/c1-3-12(9(2)13)14-8-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3
InChIKey LJKWDVMOZQWRCC-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGu272O0Anb
Name 2-ACETYL-2-ETHYL-4H-3,1-BENZOXATHIINE
CAS Registry Number 124921-64-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-12(9(2)13)14-8-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3
InChIKey LJKWDVMOZQWRCC-UHFFFAOYSA-N
Literature Reference Author M.SCHMIDT,H.MEIER,H.P.NIEDERMANN,R.MENGEL
Literature Reference Citation CHEM.BER.,123,1143(1990)
Literature Reference DOI 10.1002/cber.19901230530
Molecular Weight 222.302 g/mol
Solvent CDCl3
Source File Reference UWED11057