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N-Acetyl-Isoleucine-Methyl Ester
SpectraBase Compound ID AlAfSfOgOZY
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)/t6-,8-/m0/s1
InChIKey JPQWQTHLAKUOOA-XPUUQOCRSA-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 6fF4Z25nkpv
Name N-Acetyl-Isoleucine-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)/t6-,8-/m0/s1
InChIKey JPQWQTHLAKUOOA-XPUUQOCRSA-N
Molecular Weight 187.239 g/mol
SMILES N([C@](C(=O)OC)([C@](CC)(C)[H])[H])C(=O)C
SPLASH splash10-002u-9300000000-09bc1c9ae88c8d0e09be
Source of Spectrum U1-2009-3800-10f
Synonyms (2S,3S)-2-acetamido-3-methylpentanoic acid methyl ester Methyl (2S,3S)-2-acetamido-3-methylpentanoate Methyl (2S,3S)-2-acetamido-3-methyl-pentanoate
Wiley ID 1697047