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L-Alanine, N-(N-acetyl-L-alanyl)-, butyl ester
SpectraBase Compound ID DEB4mcqQAMr
InChI InChI=1S/C12H22N2O4/c1-5-6-7-18-12(17)9(3)14-11(16)8(2)13-10(4)15/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKey ULQHMYMNDPGXBD-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C12H22N2O4
Exact Mass 258.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5Aelzs60rx
Name L-Alanine, N-(N-acetyl-L-alanyl)-, butyl ester
CAS Registry Number 55712-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22N2O4
InChI InChI=1S/C12H22N2O4/c1-5-6-7-18-12(17)9(3)14-11(16)8(2)13-10(4)15/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKey ULQHMYMNDPGXBD-UHFFFAOYSA-N
Molecular Weight 258.318 g/mol
SMILES N(C(C(NC(C)=O)C)=O)C(C(OCCCC)=O)C
SPLASH splash10-000f-9000000000-2121381253fd42326702
Source of Spectrum TX-0-245-0
Synonyms Butyl 2-([2-(acetylamino)propanoyl]amino)propanoate 2-(2-acetamidopropanoylamino)propionic acid butyl ester 2-[(2-acetamido-1-oxopropyl)amino]propanoic acid butyl ester Butyl 2-(2-acetamidopropanoylamino)propanoate
Wiley ID 1261449