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Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, hexyl ester
SpectraBase Compound ID CFL6o8Ee2Ns
InChI InChI=1S/C23H44N2O5/c1-9-11-13-14-16-29-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)30-15-12-10-2/h17-20H,9-16H2,1-8H3
InChIKey UDGXAKXJLMEOGU-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H44N2O5
Exact Mass 428.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aRveUeEwoJ
Name Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-9-11-13-14-16-29-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)30-15-12-10-2/h17-20H,9-16H2,1-8H3
InChIKey UDGXAKXJLMEOGU-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O