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S-methyl [[(1R,2S)-2-(chloromethyl)cyclohexyl]amino]methanethioate

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S-methyl [[(1R,2S)-2-(chloromethyl)cyclohexyl]amino]methanethioate
SpectraBase Compound ID EwQEG1a4n79
InChI InChI=1S/C9H16ClNOS/c1-13-9(12)11-8-5-3-2-4-7(8)6-10/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKey XJGDBRIBFKUEDF-HTQZYQBOSA-N
Mol Weight 221.75 g/mol
Molecular Formula C9H16ClNOS
Exact Mass 221.064113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hUsSOS2yWU
Name S-methyl [[(1R,2S)-2-(chloromethyl)cyclohexyl]amino]methanethioate
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16ClNOS
InChI InChI=1S/C9H16ClNOS/c1-13-9(12)11-8-5-3-2-4-7(8)6-10/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKey XJGDBRIBFKUEDF-HTQZYQBOSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 221.745 g/mol
Source File Reference MHKO8843