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Methyl 3-methyl-2-[(3-methylbutanoyl)amino]pentanoate
SpectraBase Compound ID 2OzudYnjCiR
InChI InChI=1S/C12H23NO3/c1-6-9(4)11(12(15)16-5)13-10(14)7-8(2)3/h8-9,11H,6-7H2,1-5H3,(H,13,14)
InChIKey KZMDZUOSHACPOW-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C12H23NO3
Exact Mass 229.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7YDT6Zsdhi
Name Methyl 3-methyl-2-[(3-methylbutanoyl)amino]pentanoate
Alternate Name(s) 2-(isovalerylamino)-3-methyl-valeric acid methyl ester 3-Methyl-2-[(3-methyl-1-oxobutyl)amino]pentanoic acid methyl ester l-Isoleucine, N-(3-methyl-1-oxobutyl)-, methyl ester
CAS Registry Number 118388-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO3
InChI InChI=1S/C12H23NO3/c1-6-9(4)11(12(15)16-5)13-10(14)7-8(2)3/h8-9,11H,6-7H2,1-5H3,(H,13,14)
InChIKey KZMDZUOSHACPOW-UHFFFAOYSA-N
Molecular Weight 229.320 g/mol
SMILES N(C(C(CC)C)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-000i-9100000000-328ad1a7e273e6e5ef3d
Source of Spectrum HE-1986-1760-0
Wiley ID 1230705