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Methyl 4-methyl-2-[(3-methylbutanoyl)amino]pentanoate
SpectraBase Compound ID Gri4bUkOW41
InChI InChI=1S/C12H23NO3/c1-8(2)6-10(12(15)16-5)13-11(14)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKey CTNOKZLCYODPJH-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 4TzKe748V3M
Name Methyl 4-methyl-2-[(3-methylbutanoyl)amino]pentanoate
Alternate Name(s) 2-(isovalerylamino)-4-methyl-valeric acid methyl ester 4-Methyl-2-[(3-methyl-1-oxobutyl)amino]pentanoic acid methyl ester l-Leucine, N-(3-methyl-1-oxobutyl)-, methyl ester
CAS Registry Number 111491-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO3
InChI InChI=1S/C12H23NO3/c1-8(2)6-10(12(15)16-5)13-11(14)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKey CTNOKZLCYODPJH-UHFFFAOYSA-N
Molecular Weight 229.320 g/mol
SMILES N(C(CC(C)C)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-000l-9100000000-0cda35f039422b1c6207
Source of Spectrum HE-1986-1700-0
Wiley ID 1230704