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DIETHYL-[2-HYDROXY-3-(3-METHYL-BUTYLCARBAMOYL)-BENZYL]-AMMONIUM-CHLORIDE
SpectraBase Compound ID Ddzh5fnlKTR
InChI InChI=1S/C17H28N2O2.ClH/c1-5-19(6-2)12-14-8-7-9-15(16(14)20)17(21)18-11-10-13(3)4;/h7-9,13,20H,5-6,10-12H2,1-4H3,(H,18,21);1H
InChIKey JQRLNSNXXFUFTM-UHFFFAOYSA-N
Mol Weight 328.88 g/mol
Molecular Formula C17H29ClN2O2
Exact Mass 328.191756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Wn48275dMy
Name DIETHYL-[2-HYDROXY-3-(3-METHYL-BUTYLCARBAMOYL)-BENZYL]-AMMONIUM-CHLORIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H29ClN2O2
InChI InChI=1S/C17H28N2O2.ClH/c1-5-19(6-2)12-14-8-7-9-15(16(14)20)17(21)18-11-10-13(3)4;/h7-9,13,20H,5-6,10-12H2,1-4H3,(H,18,21);1H
InChIKey JQRLNSNXXFUFTM-UHFFFAOYSA-N
Literature Reference Author C.DANG,B.KIRCHKNOPF,M.MASTALIR,H.KAEHLIG,S.FELSINGER,A.ROLLE R,V.B.ARION,H.GSTACH
Literature Reference Citation MOLECULES,20,1686(2015)
Literature Reference DOI 10.3390/molecules20011686
Molecular Weight 328.882 g/mol
Solvent DMSO-D6
Source File Reference UWPA2061