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Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID EloFCxdjLVo
InChI InChI=1S/C28H54N2O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-34-26(32)24(3)29(7)25(31)23(2)30(8)27(33)35-22-28(4,5)6/h23-24H,9-22H2,1-8H3
InChIKey YXCDESZLKYQWPK-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H54N2O5
Exact Mass 498.403273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSnJqB6cguF
Name Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.403272842 u
Formula C28H54N2O5
InChI InChI=1S/C28H54N2O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-34-26(32)24(3)29(7)25(31)23(2)30(8)27(33)35-22-28(4,5)6/h23-24H,9-22H2,1-8H3
InChIKey YXCDESZLKYQWPK-UHFFFAOYSA-N
Molecular Weight 498.749 g/mol
SMILES CC(COC(N(C(C(N(C(C(OCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O)(C)C