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l-Isoleucine, N-isobutoxycarbonyl-, hexyl ester
SpectraBase Compound ID GtlMDzchfnS
InChI InChI=1S/C17H33NO4/c1-6-8-9-10-11-21-16(19)15(14(5)7-2)18-17(20)22-12-13(3)4/h13-15H,6-12H2,1-5H3,(H,18,20)
InChIKey UCMNFIBKUDDHQU-UHFFFAOYSA-N
Mol Weight 315.5 g/mol
Molecular Formula C17H33NO4
Exact Mass 315.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5iF7bQoPrz
Name l-Isoleucine, N-isobutoxycarbonyl-, hexyl ester
Alternate Name(s) 3-Methyl-2-[[2-methylpropoxy(oxo)methyl]amino]pentanoic acid hexyl ester Hexyl 2-(isobutoxycarbonylamino)-3-methyl-pentanoate Hexyl 3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
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Formula C17H33NO4
InChI InChI=1S/C17H33NO4/c1-6-8-9-10-11-21-16(19)15(14(5)7-2)18-17(20)22-12-13(3)4/h13-15H,6-12H2,1-5H3,(H,18,20)
InChIKey UCMNFIBKUDDHQU-UHFFFAOYSA-N
Molecular Weight 315.454 g/mol
SMILES N(C(OCC(C)C)=O)C(C(CC)C)C(OCCCCCC)=O
SPLASH splash10-000i-5900000000-436b23ec2c11fb10440c
Source of Spectrum NP-10-9557-0
Wiley ID 1109282