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dl-Valyl-dl-valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

dl-Valyl-dl-valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester
SpectraBase Compound ID ItZKh606u7l
InChI InChI=1S/C21H38N2O5/c1-9-11-12-13-14-28-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)27-10-2/h10,15-18H,2,9,11-14H2,1,3-8H3
InChIKey ZZLHPVNIRJUUBT-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H38N2O5
Exact Mass 398.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ycCKHX2QPZ
Name dl-Valyl-dl-valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.278072327 u
Formula C21H38N2O5
InChI InChI=1S/C21H38N2O5/c1-9-11-12-13-14-28-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)27-10-2/h10,15-18H,2,9,11-14H2,1,3-8H3
InChIKey ZZLHPVNIRJUUBT-UHFFFAOYSA-N
Molecular Weight 398.544 g/mol
SMILES C(N(C(C(C)C)C(OCCCCCC)=O)C)(C(N(C(OC=C)=O)C)C(C)C)=O