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2-[acetyl(methyl)amino]-4-methyl-pentanoic acid
SpectraBase Compound ID GH7GO4MBEhB
InChI InChI=1S/C9H17NO3/c1-6(2)5-8(9(12)13)10(4)7(3)11/h6,8H,5H2,1-4H3,(H,12,13)
InChIKey PMLGUHPWWFBELQ-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 IzIaqDlo4JA
Name 2-[acetyl(methyl)amino]-4-methyl-pentanoic acid
Alternate Name(s) 2-[acetyl(methyl)amino]-4-methyl-valeric acid 2-[ethanoyl(methyl)amino]-4-methyl-pentanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-6(2)5-8(9(12)13)10(4)7(3)11/h6,8H,5H2,1-4H3,(H,12,13)
InChIKey PMLGUHPWWFBELQ-UHFFFAOYSA-N
Molecular Weight 187.239 g/mol
SMILES OC(C(N(C(=O)C)C)CC(C)C)=O
SPLASH splash10-0udi-0900000000-8ce9da97159852a5ae06
Source of Spectrum H1-45-2189-1
Wiley ID 815915