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

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-propargyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID L7lkpx2LTNp
InChI InChI=1S/C18H30N2O5/c1-8-11-25-18(23)20(7)14(4)16(21)19(6)15(5)17(22)24-12-9-10-13(2)3/h1,13-15H,9-12H2,2-7H3
InChIKey JOJKYCPJLBRFMJ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C18H30N2O5
Exact Mass 354.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7peZxU7VMaH
Name Alanylalanine, N,N'-dimethyl-N'-propargyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.215472069 u
Formula C18H30N2O5
InChI InChI=1S/C18H30N2O5/c1-8-11-25-18(23)20(7)14(4)16(21)19(6)15(5)17(22)24-12-9-10-13(2)3/h1,13-15H,9-12H2,2-7H3
InChIKey JOJKYCPJLBRFMJ-UHFFFAOYSA-N
Molecular Weight 354.447 g/mol
SMILES C#CCOC(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O