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l-Valine, N-isobutoxycarbonyl-, isohexyl ester
SpectraBase Compound ID GLnfxrOMYtk
InChI InChI=1S/C16H31NO4/c1-11(2)8-7-9-20-15(18)14(13(5)6)17-16(19)21-10-12(3)4/h11-14H,7-10H2,1-6H3,(H,17,19)
InChIKey HPKLOQBFIZFZOP-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 AgQKvnT2hJ7
Name l-Valine, N-isobutoxycarbonyl-, isohexyl ester
Alternate Name(s) 3-Methyl-2-[[2-methylpropoxy(oxo)methyl]amino]butanoic acid 4-methylpentyl ester isohexyl 2-(isobutoxycarbonylamino)-3-methyl-butanoate 4-Methylpentyl 3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
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Formula C16H31NO4
InChI InChI=1S/C16H31NO4/c1-11(2)8-7-9-20-15(18)14(13(5)6)17-16(19)21-10-12(3)4/h11-14H,7-10H2,1-6H3,(H,17,19)
InChIKey HPKLOQBFIZFZOP-UHFFFAOYSA-N
Molecular Weight 301.427 g/mol
SMILES N(C(OCC(C)C)=O)C(C(OCCCC(C)C)=O)C(C)C
SPLASH splash10-00di-9700000000-d9f694d291430c69fa7e
Source of Spectrum NP-10-1596-0
Wiley ID 1108690