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2-[2-(Benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]-3-methylbutanoic acid
SpectraBase Compound ID DdplIUS3IyC
InChI InChI=1S/C22H22N2O4S/c1-14(2)19(21(26)27)24-18(15-9-11-17(28-3)12-10-15)13-29-22(24)23-20(25)16-7-5-4-6-8-16/h4-14,19H,1-3H3,(H,26,27)/b23-22-
InChIKey IHUIHWYZOMNKGO-FCQUAONHSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RxHKUMnTlL
Name 2-[2-(Benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]-3-methylbutanoic acid
Alternate Name(s) (Z)-2-(2-(benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl)-3-methylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-14(2)19(21(26)27)24-18(15-9-11-17(28-3)12-10-15)13-29-22(24)23-20(25)16-7-5-4-6-8-16/h4-14,19H,1-3H3,(H,26,27)/b23-22-
InChIKey IHUIHWYZOMNKGO-FCQUAONHSA-N
Literature Reference DOI 10.1016/j.cclet.2013.11.009
Molecular Weight 410.488 g/mol
SMILES OC(C(C(C)C)N1C(=CS\C1=N\C(c1ccccc1)=O)c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-4902000000-5156770b534da32bca26
Source of Spectrum CCL-25-121-4h
Wiley ID 1743750