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DL-Isoleucine, N-acetyl-, methyl ester
SpectraBase Compound ID Gr3ETbp0dBy
InChI InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)
InChIKey JPQWQTHLAKUOOA-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C9H17NO3
Exact Mass 187.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eRIJiFlrl4
Name DL-Isoleucine, N-acetyl-, methyl ester
Alternate Name(s) Methyl 2-(acetylamino)-3-methylpentanoate 2-Acetamido-3-methyl-valeric acid methyl ester L-Isoleucine, N-acetyl-, methyl ester, erythro- 2-Acetamido-3-methylpentanoic acid methyl ester Isoleucine, N-acetyl-, methyl ester, L- Methyl 2-acetamido-3-methyl-pentanoate N-Acetyl-L-isoleucine methyl ester N-Acetylisoleucine methyl ester
CAS Registry Number 2256-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)
InChIKey JPQWQTHLAKUOOA-UHFFFAOYSA-N
Molecular Weight 187.239 g/mol
SMILES N(C(C(CC)C)C(OC)=O)C(C)=O
SPLASH splash10-002u-9200000000-0cf5c2c7de13b5630dec
Source of Spectrum EP-8083-0-0
Wiley ID 1183734