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l-Isoleucine, N-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID Hz6gFIWMkyQ
InChI InChI=1S/C16H31NO4/c1-6-8-9-10-20-15(18)14(13(5)7-2)17-16(19)21-11-12(3)4/h12-14H,6-11H2,1-5H3,(H,17,19)
InChIKey NNUSKRPYSYIROL-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C16H31NO4
Exact Mass 301.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13hLWhvUD0v
Name l-Isoleucine, N-isobutoxycarbonyl-, pentyl ester
Alternate Name(s) 3-Methyl-2-[[2-methylpropoxy(oxo)methyl]amino]pentanoic acid pentyl ester Pentyl 2-(isobutoxycarbonylamino)-3-methyl-pentanoate Pentyl 3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
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Formula C16H31NO4
InChI InChI=1S/C16H31NO4/c1-6-8-9-10-20-15(18)14(13(5)7-2)17-16(19)21-11-12(3)4/h12-14H,6-11H2,1-5H3,(H,17,19)
InChIKey NNUSKRPYSYIROL-UHFFFAOYSA-N
Molecular Weight 301.427 g/mol
SMILES N(C(OCC(C)C)=O)C(C(CC)C)C(OCCCCC)=O
SPLASH splash10-000i-6900000000-1daaecc1fc9dd932d590
Source of Spectrum NP-10-1595-0
Wiley ID 1108689