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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl -, hexyl ester
SpectraBase Compound ID 89J1fQkMJh7
InChI InChI=1S/C22H38N2O5/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/h2,16-19H,9,11-15H2,1,3-8H3
InChIKey TWGPYBDBOBOOKK-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LK2TSWIyppG
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl -, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/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/h2,16-19H,9,11-15H2,1,3-8H3
InChIKey TWGPYBDBOBOOKK-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES C#CCOC(N(C(C(N(C(C(OCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O