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(1S,2S)-2-Methanesulfonylaminocyclohexanecarboxylic acid (1-hydroxymethyl-2-methylpropyl)amide
SpectraBase Compound ID 2Kqcj4c766E
InChI InChI=1S/C13H26N2O4S/c1-9(2)12(8-16)14-13(17)10-6-4-5-7-11(10)15-20(3,18)19/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)/t10-,11-,12?/m0/s1
InChIKey XIKSFNVXSMXOGI-NDQFZYFBSA-N
Mol Weight 306.42 g/mol
Molecular Formula C13H26N2O4S
Exact Mass 306.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EL6mwKQjCs
Name (1S,2S)-2-Methanesulfonylaminocyclohexanecarboxylic acid (1-hydroxymethyl-2-methylpropyl)amide
Alternate Name(s) (1S,2S)-N-[1-(hydroxymethyl)-2-methylpropyl]-2-[(methylsulfonyl)amino]cyclohexanecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26N2O4S
InChI InChI=1S/C13H26N2O4S/c1-9(2)12(8-16)14-13(17)10-6-4-5-7-11(10)15-20(3,18)19/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)/t10-,11-,12?/m0/s1
InChIKey XIKSFNVXSMXOGI-NDQFZYFBSA-N
Molecular Weight 306.421 g/mol
SMILES N([C@@]1([C@@](C(=O)NC(CO)C(C)C)(CCCC1)[H])[H])S(=O)(=O)C
SPLASH splash10-0kl0-8790000000-503aa777301ab1f606c1
Source of Spectrum KD-14-3610-13
Wiley ID 1636506