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L-Norleucyl-L-norleucine, N-allyloxycarbonyl-, ethyl ester
SpectraBase Compound ID 40zahT7BQHd
InChI InChI=1S/C18H32N2O5/c1-5-9-11-14(20-18(23)25-13-7-3)16(21)19-15(12-10-6-2)17(22)24-8-4/h7,14-15H,3,5-6,8-13H2,1-2,4H3,(H,19,21)(H,20,23)
InChIKey NEKIHFMSLKTBEQ-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 H7MClYC4X1Q
Name L-Norleucyl-L-norleucine, N-allyloxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.231122133 u
Formula C18H32N2O5
InChI InChI=1S/C18H32N2O5/c1-5-9-11-14(20-18(23)25-13-7-3)16(21)19-15(12-10-6-2)17(22)24-8-4/h7,14-15H,3,5-6,8-13H2,1-2,4H3,(H,19,21)(H,20,23)
InChIKey NEKIHFMSLKTBEQ-UHFFFAOYSA-N
Molecular Weight 356.463 g/mol
SMILES C(NC(C(NC(OCC=C)=O)CCCC)=O)(C(OCC)=O)CCCC