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(2R*,4R*)/(2S*,4R*)-2-DODECYL-1,3-THIAZINANE-4-CARBOXYLIC-ACID
SpectraBase Compound ID BdGCzCxDTsl
InChI InChI=1S/C17H33NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-15(17(19)20)13-14-21-16/h15-16,18H,2-14H2,1H3,(H,19,20)/t15-,16?/m1/s1
InChIKey AEKPADVEYLYFFD-AAFJCEBUSA-N
Mol Weight 315.5 g/mol
Molecular Formula C17H33NO2S
Exact Mass 315.2232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 649IDmvBR2B
Name (2R*,4R*)/(2S*,4R*)-2-DODECYL-1,3-THIAZINANE-4-CARBOXYLIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H33NO2S
InChI InChI=1S/C17H33NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-15(17(19)20)13-14-21-16/h15-16,18H,2-14H2,1H3,(H,19,20)/t15-,16?/m1/s1
InChIKey AEKPADVEYLYFFD-AAFJCEBUSA-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 315.515 g/mol
Sample ID 65104
Solvent DMSO-D6