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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, hexyl ester
SpectraBase Compound ID Le9HjK2CAj2
InChI InChI=1S/C22H42N2O5/c1-9-11-12-13-15-28-21(26)19(17(5)6)23(7)20(25)18(16(3)4)24(8)22(27)29-14-10-2/h16-19H,9-15H2,1-8H3
InChIKey PWLQRSCORVNOOJ-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C22H42N2O5
Exact Mass 414.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cXs5iTMgkt
Name Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.309372455 u
Formula C22H42N2O5
InChI InChI=1S/C22H42N2O5/c1-9-11-12-13-15-28-21(26)19(17(5)6)23(7)20(25)18(16(3)4)24(8)22(27)29-14-10-2/h16-19H,9-15H2,1-8H3
InChIKey PWLQRSCORVNOOJ-UHFFFAOYSA-N
Molecular Weight 414.587 g/mol
SMILES CCCOC(N(C(C(N(C(C(C)C)C(OCCCCCC)=O)C)=O)C(C)C)C)=O