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[[1-(4-hydroxybenzyl)cyclohexyl]amino]methanethioic acid S-methyl ester

View entire compound with spectra: 2 NMR

[[1-(4-hydroxybenzyl)cyclohexyl]amino]methanethioic acid S-methyl ester
SpectraBase Compound ID AKWVFf56SDH
InChI InChI=1S/C15H21NO2S/c1-19-14(18)16-15(9-3-2-4-10-15)11-12-5-7-13(17)8-6-12/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKey IPMLRLWUMHTCCZ-UHFFFAOYSA-N
Mol Weight 279.4 g/mol
Molecular Formula C15H21NO2S
Exact Mass 279.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6SJ8CAtiES
Name [[1-(4-hydroxybenzyl)cyclohexyl]amino]methanethioic acid S-methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21NO2S
InChI InChI=1S/C15H21NO2S/c1-19-14(18)16-15(9-3-2-4-10-15)11-12-5-7-13(17)8-6-12/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKey IPMLRLWUMHTCCZ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 279.397 g/mol
Source File Reference MHKO13464