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L-Valine, N-(N-acetyl-L-isoleucyl)-, butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Valine, N-(N-acetyl-L-isoleucyl)-, butyl ester
SpectraBase Compound ID Ctl90o7EpwK
InChI InChI=1S/C17H32N2O4/c1-7-9-10-23-17(22)14(11(3)4)19-16(21)15(12(5)8-2)18-13(6)20/h11-12,14-15H,7-10H2,1-6H3,(H,18,20)(H,19,21)
InChIKey OHHRVZKTFRVAIE-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C17H32N2O4
Exact Mass 328.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O0mQ20jO0y
Name L-Valine, N-(N-acetyl-L-isoleucyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.236207514 u
Formula C17H32N2O4
InChI InChI=1S/C17H32N2O4/c1-7-9-10-23-17(22)14(11(3)4)19-16(21)15(12(5)8-2)18-13(6)20/h11-12,14-15H,7-10H2,1-6H3,(H,18,20)(H,19,21)
InChIKey OHHRVZKTFRVAIE-UHFFFAOYSA-N
Molecular Weight 328.453 g/mol
SMILES C([C@]([C@](CC)(C)[H])(NC(C)=O)[H])(N[C@](C(OCCCC)=O)(C(C)C)[H])=O