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

View entire compound with spectra: 1 NMR, and 1 FTIR

Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, propyl ester
SpectraBase Compound ID 6vOwM8mur8O
InChI InChI=1S/C21H40N2O5/c1-11-12-27-19(25)17(15(4)5)22(9)18(24)16(14(2)3)23(10)20(26)28-13-21(6,7)8/h14-17H,11-13H2,1-10H3
InChIKey RECDILFLKNHJKT-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXArAolWKSa
Name Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-11-12-27-19(25)17(15(4)5)22(9)18(24)16(14(2)3)23(10)20(26)28-13-21(6,7)8/h14-17H,11-13H2,1-10H3
InChIKey RECDILFLKNHJKT-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CC(COC(N(C(C(N(C(C(C)C)C(OCCC)=O)C)=O)C(C)C)C)=O)(C)C