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Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentyl ester

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Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentyl ester
SpectraBase Compound ID 3KIaURQxtKl
InChI InChI=1S/C23H44N2O5/c1-11-12-13-14-29-21(27)19(17(4)5)24(9)20(26)18(16(2)3)25(10)22(28)30-15-23(6,7)8/h16-19H,11-15H2,1-10H3
InChIKey AEJCHEZTSWYWPX-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 2zxqzIi2NOh
Name Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-11-12-13-14-29-21(27)19(17(4)5)24(9)20(26)18(16(2)3)25(10)22(28)30-15-23(6,7)8/h16-19H,11-15H2,1-10H3
InChIKey AEJCHEZTSWYWPX-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES CC(COC(N(C(C(N(C(C(C)C)C(OCCCCC)=O)C)=O)C(C)C)C)=O)(C)C