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Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, isohexyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 2Nr8NQVBLfe
InChI InChI=1S/C20H38N2O5/c1-14(2)11-10-12-26-18(24)16(4)21(8)17(23)15(3)22(9)19(25)27-13-20(5,6)7/h14-16H,10-13H2,1-9H3
InChIKey BVPYDLVHYDVVLM-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C20H38N2O5
Exact Mass 386.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4YgaYKzvEc
Name Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.278072327 u
Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/c1-14(2)11-10-12-26-18(24)16(4)21(8)17(23)15(3)22(9)19(25)27-13-20(5,6)7/h14-16H,10-13H2,1-9H3
InChIKey BVPYDLVHYDVVLM-UHFFFAOYSA-N
Molecular Weight 386.533 g/mol
SMILES CC(COC(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O)(C)C