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DL-Leucine, N-[(5-phenyl-2-thiazolyl)methylene]-, methyl ester
SpectraBase Compound ID 2y4k9uw0VZk
InChI InChI=1S/C17H20N2O2S/c1-12(2)9-14(17(20)21-3)18-11-16-19-10-15(22-16)13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3/b18-11+
InChIKey QBRVQUYNIIHQII-WOJGMQOQSA-N
Mol Weight 316.42 g/mol
Molecular Formula C17H20N2O2S
Exact Mass 316.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H5OvSVmcLe
Name DL-Leucine, N-[(5-phenyl-2-thiazolyl)methylene]-, methyl ester
CAS Registry Number 113370-72-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H20N2O2S
InChI InChI=1S/C17H20N2O2S/c1-12(2)9-14(17(20)21-3)18-11-16-19-10-15(22-16)13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3/b18-11+
InChIKey QBRVQUYNIIHQII-WOJGMQOQSA-N
Molecular Weight 316.419 g/mol
SMILES c1(sc(nc1)\C=N\C(C(=O)OC)CC(C)C)-c1ccccc1
SPLASH splash10-0a4i-0093000000-858ca64dabee4e519e84
Source of Spectrum KC-1987-2292-6
Synonyms methyl 4-methyl-2-{[(E)-(5-phenyl-1,3-thiazol-2-yl)methylidene]amino}pentanoate Methyl N-(2-phenylthiazol-5-ylmethylene)leucinate
Wiley ID 1316686