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L-Norvaline, N-benzyloxycarbonyl-, tetradecyl ester

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L-Norvaline, N-benzyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID 79H0R8I6qGW
InChI InChI=1S/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-31-26(29)25(19-4-2)28-27(30)32-23-24-20-16-15-17-21-24/h15-17,20-21,25H,3-14,18-19,22-23H2,1-2H3,(H,28,30)
InChIKey PYBRPRIHVIINAM-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DLtriwseTS
Name L-Norvaline, N-benzyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-31-26(29)25(19-4-2)28-27(30)32-23-24-20-16-15-17-21-24/h15-17,20-21,25H,3-14,18-19,22-23H2,1-2H3,(H,28,30)
InChIKey PYBRPRIHVIINAM-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCCCCCCCCCCCCC)=O)CCC)=O