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Tert-leucine, N-propoxycarbonyl-, heptadecyl ester

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

Tert-leucine, N-propoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID 7ry5LxXo05W
InChI InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-31-25(29)24(27(3,4)5)28-26(30)32-22-7-2/h24H,6-23H2,1-5H3,(H,28,30)
InChIKey BZGHOMWTXHAWTI-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bg6PCqt3XnW
Name Tert-leucine, N-propoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-31-25(29)24(27(3,4)5)28-26(30)32-22-7-2/h24H,6-23H2,1-5H3,(H,28,30)
InChIKey BZGHOMWTXHAWTI-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(OCCC)=O)C(C)(C)C)=O