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(2R*,4R*)/(2S*,4R*)-2-UNDECYL-1,3-THIAZINANE-4-CARBOXYLIC-ACID
SpectraBase Compound ID D2swwtwEYpr
InChI InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-17-14(16(18)19)12-13-20-15/h14-15,17H,2-13H2,1H3,(H,18,19)/t14-,15?/m1/s1
InChIKey RCENGLQVRFFIDQ-GICMACPYSA-N
Mol Weight 301.49 g/mol
Molecular Formula C16H31NO2S
Exact Mass 301.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUiCyQxPIpc
Name (2R*,4R*)/(2S*,4R*)-2-UNDECYL-1,3-THIAZINANE-4-CARBOXYLIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H31NO2S
InChI InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-17-14(16(18)19)12-13-20-15/h14-15,17H,2-13H2,1H3,(H,18,19)/t14-,15?/m1/s1
InChIKey RCENGLQVRFFIDQ-GICMACPYSA-N
Literature Reference Author Y.KOIDE,T.HASEGAWA,A.TAKAHASHI,A.ENDO,N.MOCHIZUKI,M.NAKAGAWA ,A.NISHIDA
Literature Reference Citation J.MED.CHEM.,45,4629(2002)
Literature Reference DOI 10.1021/jm020080c
Molecular Weight 301.488 g/mol
Sample ID 65103
Solvent DMSO-D6