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

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 3kIKXQTffjw
InChI InChI=1S/C18H32N2O5/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/h8,13-15H,1,9-12H2,2-7H3
InChIKey YYBAKXCFUUCDLJ-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C18H32N2O5
Exact Mass 356.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CU4f2tyEWzQ
Name Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.231122133 u
Formula C18H32N2O5
InChI InChI=1S/C18H32N2O5/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/h8,13-15H,1,9-12H2,2-7H3
InChIKey YYBAKXCFUUCDLJ-UHFFFAOYSA-N
Molecular Weight 356.463 g/mol
SMILES C=CCOC(N(C(C(N(C(C)C(OCCCC(C)C)=O)C)=O)C)C)=O