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leu-leu, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester (isomer 1)

View entire compound with spectra: 1 NMR

leu-leu, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester (isomer 1)
SpectraBase Compound ID LMO6gle24x0
InChI InChI=1S/C21H40N2O5/c1-9-11-27-20(25)18(14-16(5)6)22(7)19(24)17(13-15(3)4)23(8)21(26)28-12-10-2/h15-18H,9-14H2,1-8H3
InChIKey MLKFXVXTEXSRSX-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 AdAkM4KdEIZ
Name leu-leu, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-9-11-27-20(25)18(14-16(5)6)22(7)19(24)17(13-15(3)4)23(8)21(26)28-12-10-2/h15-18H,9-14H2,1-8H3
InChIKey MLKFXVXTEXSRSX-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CC(CC(C(N(C(CC(C)C)C(OCCC)=O)C)=O)N(C)C(OCCC)=O)C