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 Google Search
Mol Weight	316.42 g/mol
Molecular Formula	C17H20N2O2S
Exact Mass	316.124549 g/mol

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SpectraBase Spectrum ID	1H5OvSVmcLe
Name	DL-Leucine, N-[(5-phenyl-2-thiazolyl)methylene]-, methyl ester
Alternate Name(s)	methyl 4-methyl-2-{[(E)-(5-phenyl-1,3-thiazol-2-yl)methylidene]amino}pentanoate Methyl N-(2-phenylthiazol-5-ylmethylene)leucinate
CAS Registry Number	113370-72-2
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Wiley ID	1316686