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L-Isoleucine, N-(1-methylethyl)-, 1-methylethyl ester
SpectraBase Compound ID 2EwYyrXWIoi
InChI InChI=1S/C12H25NO2/c1-7-10(6)11(13-8(2)3)12(14)15-9(4)5/h8-11,13H,7H2,1-6H3/t10?,11-/m0/s1
InChIKey DBBMVVLNAOZAQR-DTIOYNMSSA-N
Mol Weight 215.34 g/mol
Molecular Formula C12H25NO2
Exact Mass 215.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyDYX6i9bhD
Name L-Isoleucine, N-(1-methylethyl)-, 1-methylethyl ester
Alternate Name(s) isopropyl (2S)-2-(isopropylamino)-3-methylpentanoate O,N-di-isopropylisoleucine
CAS Registry Number 56771-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H25NO2
InChI InChI=1S/C12H25NO2/c1-7-10(6)11(13-8(2)3)12(14)15-9(4)5/h8-11,13H,7H2,1-6H3/t10?,11-/m0/s1
InChIKey DBBMVVLNAOZAQR-DTIOYNMSSA-N
Molecular Weight 215.337 g/mol
SMILES N([C@](C(OC(C)C)=O)(C(CC)C)[H])C(C)C
SPLASH splash10-004r-4900000000-deb73d9808dd0c6b6931
Source of Spectrum EP-7297-0-0
Wiley ID 1214605