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Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, hexyl ester
SpectraBase Compound ID LY8xCgHWfED
InChI InChI=1S/C19H36N2O5/c1-7-9-11-12-14-25-18(23)16(4)20(5)17(22)15(3)21(6)19(24)26-13-10-8-2/h15-16H,7-14H2,1-6H3
InChIKey BKFZCQDFJFGNBL-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C19H36N2O5
Exact Mass 372.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2oUzWg10Vx
Name Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-7-9-11-12-14-25-18(23)16(4)20(5)17(22)15(3)21(6)19(24)26-13-10-8-2/h15-16H,7-14H2,1-6H3
InChIKey BKFZCQDFJFGNBL-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCCCC)=O)C)C)=O)C)C)=O