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Tert-leucine, N-ethoxycarbonyl-, heptyl ester
SpectraBase Compound ID G5IRXKwJZ2n
InChI InChI=1S/C16H31NO4/c1-6-8-9-10-11-12-21-14(18)13(16(3,4)5)17-15(19)20-7-2/h13H,6-12H2,1-5H3,(H,17,19)
InChIKey FLADNKOEIFAYML-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C16H31NO4
Exact Mass 301.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95HRXdtJ5Pr
Name Tert-leucine, N-ethoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 301.225308478 u
Formula C16H31NO4
InChI InChI=1S/C16H31NO4/c1-6-8-9-10-11-12-21-14(18)13(16(3,4)5)17-15(19)20-7-2/h13H,6-12H2,1-5H3,(H,17,19)
InChIKey FLADNKOEIFAYML-UHFFFAOYSA-N
SMILES CCCCCCCOC(C(NC(OCC)=O)C(C)(C)C)=O