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N-(p-TOLUOYL)THREONINE, METHYL ESTER
SpectraBase Compound ID A5Aeb2fdjtf
InChI InChI=1S/C13H17NO4/c1-8-4-6-10(7-5-8)12(16)14-11(9(2)15)13(17)18-3/h4-7,9,11,15H,1-3H3,(H,14,16)/t9-,11+/m0/s1
InChIKey LHNSWOHGNBYEMA-GXSJLCMTSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwepxjnVmjQ
Name N-(p-TOLUOYL)THREONINE, METHYL ESTER
Source of Sample V. Hollstein, E. Breitmaier, G. Jung J. Amer. Chem. Soc. 96, 8036(1974)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-8-4-6-10(7-5-8)12(16)14-11(9(2)15)13(17)18-3/h4-7,9,11,15H,1-3H3,(H,14,16)/t9-,11+/m0/s1
InChIKey LHNSWOHGNBYEMA-GXSJLCMTSA-N
Molecular Weight 251.28
Solvent Chloroform-d; Reference=TMS; Temperature=300 K Spectrometer= Bruker HX-90
Synonyms threoNINE, N-/P-TOLUOYL/-, METHYL ESTER