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L-Norvalyl-L-norvaline, N-isobutoxycarbonyl-, hexyl ester
SpectraBase Compound ID GWTngHsm08o
InChI InChI=1S/C21H40N2O5/c1-6-9-10-11-14-27-20(25)18(13-8-3)22-19(24)17(12-7-2)23-21(26)28-15-16(4)5/h16-18H,6-15H2,1-5H3,(H,22,24)(H,23,26)
InChIKey NTVFCMJLIGBQOO-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 Iqaot5y3KAI
Name L-Norvalyl-L-norvaline, N-isobutoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-6-9-10-11-14-27-20(25)18(13-8-3)22-19(24)17(12-7-2)23-21(26)28-15-16(4)5/h16-18H,6-15H2,1-5H3,(H,22,24)(H,23,26)
InChIKey NTVFCMJLIGBQOO-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CC(C)COC(NC(C(NC(C(OCCCCCC)=O)CCC)=O)CCC)=O