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N-Boc-L-isoleucine methyl ester
SpectraBase Compound ID BrMmGFUeygE
InChI InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t8?,9-/m0/s1
InChIKey KLRYBAAAYDFIEQ-GKAPJAKFSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EH5oJcYJzUX
Name N-Boc-L-isoleucine methyl ester
Alternate Name(s) (2S,3S)-methyl 2-((tert-butoxycarbonyl)amino)-3-methylpentanoate (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid methyl ester Methyl (2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoate Methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
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Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t8?,9-/m0/s1
InChIKey KLRYBAAAYDFIEQ-GKAPJAKFSA-N
Literature Reference DOI 10.1039/c3ra46599c
Molecular Weight 245.319 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](C(OC)=O)([H])C(C)CC
SPLASH splash10-053i-9600000000-27bdddabcfbc15ac05b3
Source of Spectrum RSA-4-2684-5d
Wiley ID 1747898