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Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, heptyl ester
SpectraBase Compound ID 3WiH83R4V5y
InChI InChI=1S/C22H42N2O5/c1-9-11-12-13-14-15-29-21(26)19(17(5)6)23(7)20(25)18(16(3)4)24(8)22(27)28-10-2/h16-19H,9-15H2,1-8H3
InChIKey PGALNCKVEWIAAD-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 6F2yVPja8iV
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.309372455 u
Formula C22H42N2O5
InChI InChI=1S/C22H42N2O5/c1-9-11-12-13-14-15-29-21(26)19(17(5)6)23(7)20(25)18(16(3)4)24(8)22(27)28-10-2/h16-19H,9-15H2,1-8H3
InChIKey PGALNCKVEWIAAD-UHFFFAOYSA-N
Molecular Weight 414.587 g/mol
SMILES CCOC(N(C(C(N(C(C(C)C)C(OCCCCCCC)=O)C)=O)C(C)C)C)=O