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[1,2,3-(13)C(3)-CHLOROACETONE-THF

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[1,2,3-(13)C(3)-CHLOROACETONE-THF
SpectraBase Compound ID 5RzNznGrRsL
InChI InChI=1S/C4H8O.C3H5ClO/c1-2-4-5-3-1;1-3(5)2-4/h1-4H2;2H2,1H3/i;1+1,2+1,3+1
InChIKey YQYQQGIVQPHDFO-BURVIEGVSA-N
Mol Weight 167.61 g/mol
Molecular Formula C413C3H13ClO2
Exact Mass 167.070472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILZ0v0yeDtx
Name [1,2,3-(13)C(3)-CHLOROACETONE-THF
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C413C3H13ClO2
InChI InChI=1S/C4H8O.C3H5ClO/c1-2-4-5-3-1;1-3(5)2-4/h1-4H2;2H2,1H3/i;1+1,2+1,3+1
InChIKey YQYQQGIVQPHDFO-BURVIEGVSA-N
Literature Reference Author A.F.L.CREEMERS,J.LUGTENBURG
Literature Reference Citation J.AM.CHEM.SOC.,124,6324(2002)
Literature Reference DOI 10.1021/ja012368h
Molecular Weight 167.609 g/mol
Sample ID 50438
Solvent CDCl3