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L-Leucine, N-neopentyloxycarbonyl-N-methyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-neopentyloxycarbonyl-N-methyl-, dodecyl ester
SpectraBase Compound ID HSyMNa2RN9r
InChI InChI=1S/C25H49NO4/c1-8-9-10-11-12-13-14-15-16-17-18-29-23(27)22(19-21(2)3)26(7)24(28)30-20-25(4,5)6/h21-22H,8-20H2,1-7H3
InChIKey LROMTVODLFAPTH-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTNBmxrvEUk
Name L-Leucine, N-neopentyloxycarbonyl-N-methyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-8-9-10-11-12-13-14-15-16-17-18-29-23(27)22(19-21(2)3)26(7)24(28)30-20-25(4,5)6/h21-22H,8-20H2,1-7H3
InChIKey LROMTVODLFAPTH-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CC(COC(N(C(C(OCCCCCCCCCCCC)=O)CC(C)C)C)=O)(C)C