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dl-leucine, benzyl ester, p-toluenesulfonate(salt)

View entire compound with spectra: 4 NMR, and 1 FTIR

dl-leucine, benzyl ester, p-toluenesulfonate(salt)
SpectraBase Compound ID 1DWRzl9sFHR
InChI InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey QTQGHKVYLQBJLO-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JEEC6oiztmI
Name DL-LEUCINE, BENZYL ESTER, p-TOLUENESULFONATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2 C7H8O3S
InChI InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey QTQGHKVYLQBJLO-UHFFFAOYSA-N
Molecular Weight 393.51
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20