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N-carboxy-L-leucine, N-tert-butyl ester, hydrate

View entire compound with spectra: 4 NMR, 2 FTIR, and 1 Raman

N-carboxy-L-leucine, N-tert-butyl ester, hydrate
SpectraBase Compound ID Ecab0SlWx6R
InChI InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1
InChIKey URQQEIOTRWJXBA-QRPNPIFTSA-N
Mol Weight 249.31 g/mol
Molecular Formula C11H23NO5
Exact Mass 249.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INlclkO6d5M
Name N-CARBOXY-L-LEUCINE, N-tert-BUTYL ESTER, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H21NO4 H2O
InChI InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1
InChIKey URQQEIOTRWJXBA-QRPNPIFTSA-N
Melting Point 80-85C
Molecular Weight 249.31
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms L-LEUCINE, N-CARBOXY-, N-tert-BUTYL ESTER, HYDRATE