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DL-Leucine, N-[(5-methyl-2-thiazolyl)methylene]-, methyl ester
SpectraBase Compound ID IaErfDkvO1S
InChI InChI=1S/C12H18N2O2S/c1-8(2)5-10(12(15)16-4)13-7-11-14-6-9(3)17-11/h6-8,10H,5H2,1-4H3/b13-7+
InChIKey LNXNZTVPAGZQAU-NTUHNPAUSA-N
Mol Weight 254.35 g/mol
Molecular Formula C12H18N2O2S
Exact Mass 254.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uWTOIkDlbS
Name DL-Leucine, N-[(5-methyl-2-thiazolyl)methylene]-, methyl ester
CAS Registry Number 113370-71-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H18N2O2S
InChI InChI=1S/C12H18N2O2S/c1-8(2)5-10(12(15)16-4)13-7-11-14-6-9(3)17-11/h6-8,10H,5H2,1-4H3/b13-7+
InChIKey LNXNZTVPAGZQAU-NTUHNPAUSA-N
Molecular Weight 254.348 g/mol
SMILES c1(ncc(s1)C)\C=N\C(C(=O)OC)CC(C)C
SPLASH splash10-0002-0900000000-bedd2f69202b865d7582
Source of Spectrum KC-1987-2292-6
Synonyms methyl 4-methyl-2-{[(E)-(5-methyl-1,3-thiazol-2-yl)methylidene]amino}pentanoate Methyl N-(2-methylthiazol-5-yl)leucinate
Wiley ID 1257395