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2-[2-(Benzoylimino)-4-(4-bromophenyl)thiazol-3(2H)-yl]propanoic acid
SpectraBase Compound ID ICz2pBdrIf3
InChI InChI=1S/C19H15BrN2O3S/c1-12(18(24)25)22-16(13-7-9-15(20)10-8-13)11-26-19(22)21-17(23)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,25)/b21-19-
InChIKey KBKJVBVTJFQYMO-VZCXRCSSSA-N
Mol Weight 431.3 g/mol
Molecular Formula C19H15BrN2O3S
Exact Mass 429.998677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuAuDhsWodD
Name 2-[2-(Benzoylimino)-4-(4-bromophenyl)thiazol-3(2H)-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15BrN2O3S
InChI InChI=1S/C19H15BrN2O3S/c1-12(18(24)25)22-16(13-7-9-15(20)10-8-13)11-26-19(22)21-17(23)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,25)/b21-19-
InChIKey KBKJVBVTJFQYMO-VZCXRCSSSA-N
Literature Reference DOI 10.1016/j.cclet.2013.11.009
Molecular Weight 431.304 g/mol
SMILES OC(C(C)N1C(=CS\C1=N\C(=O)c1ccccc1)c1ccc(cc1)Br)=O
SPLASH splash10-0a4i-2907000000-05fa605c9e30ea234280
Source of Spectrum CCL-25-120-4f
Synonyms (Z)-2-(2-(benzoylimino)-4-(4-bromophenyl)thiazol-3(2H)-yl)propanoic acid
Wiley ID 1743748