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L-Norvalyl-L-norvaline, N-isobutoxycarbonyl-, isohexyl ester
SpectraBase Compound ID GfjUW3DLXNH
InChI InChI=1S/C21H40N2O5/c1-7-10-17(23-21(26)28-14-16(5)6)19(24)22-18(11-8-2)20(25)27-13-9-12-15(3)4/h15-18H,7-14H2,1-6H3,(H,22,24)(H,23,26)
InChIKey XIESIUGULIKJCY-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrNffq31eGZ
Name L-Norvalyl-L-norvaline, N-isobutoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-7-10-17(23-21(26)28-14-16(5)6)19(24)22-18(11-8-2)20(25)27-13-9-12-15(3)4/h15-18H,7-14H2,1-6H3,(H,22,24)(H,23,26)
InChIKey XIESIUGULIKJCY-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CC(C)COC(NC(C(NC(C(OCCCC(C)C)=O)CCC)=O)CCC)=O