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l-Valine, N-isobutoxycarbonyl-, octyl ester
SpectraBase Compound ID HLAj9BoLOxs
InChI InChI=1S/C18H35NO4/c1-6-7-8-9-10-11-12-22-17(20)16(15(4)5)19-18(21)23-13-14(2)3/h14-16H,6-13H2,1-5H3,(H,19,21)
InChIKey KKJBDYXYWCIVFZ-UHFFFAOYSA-N
Mol Weight 329.5 g/mol
Molecular Formula C18H35NO4
Exact Mass 329.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iCP9XtsyI8
Name l-Valine, N-isobutoxycarbonyl-, octyl ester
Alternate Name(s) 3-Methyl-2-[[2-methylpropoxy(oxo)methyl]amino]butanoic acid octyl ester Octyl 2-(isobutoxycarbonylamino)-3-methyl-butanoate Octyl 3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
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Formula C18H35NO4
InChI InChI=1S/C18H35NO4/c1-6-7-8-9-10-11-12-22-17(20)16(15(4)5)19-18(21)23-13-14(2)3/h14-16H,6-13H2,1-5H3,(H,19,21)
InChIKey KKJBDYXYWCIVFZ-UHFFFAOYSA-N
Molecular Weight 329.481 g/mol
SMILES N(C(OCC(C)C)=O)C(C(OCCCCCCCC)=O)C(C)C
SPLASH splash10-00di-9700000000-685a528ef6ac9aba256e
Source of Spectrum NP-11-6980-0
Wiley ID 1109802