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2-[2-(4-Methylbenzoylimino)-4-(4-bromophenyl)thiazol-3(2H)-yl]propanoic acid
SpectraBase Compound ID LKGvO25zp8Z
InChI InChI=1S/C20H17BrN2O3S/c1-12-3-5-15(6-4-12)18(24)22-20-23(13(2)19(25)26)17(11-27-20)14-7-9-16(21)10-8-14/h3-11,13H,1-2H3,(H,25,26)/b22-20-
InChIKey OYHMLJTZOYGRSM-XDOYNYLZSA-N
Mol Weight 445.33 g/mol
Molecular Formula C20H17BrN2O3S
Exact Mass 444.014327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEJWUvHwqDU
Name 2-[2-(4-Methylbenzoylimino)-4-(4-bromophenyl)thiazol-3(2H)-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN2O3S
InChI InChI=1S/C20H17BrN2O3S/c1-12-3-5-15(6-4-12)18(24)22-20-23(13(2)19(25)26)17(11-27-20)14-7-9-16(21)10-8-14/h3-11,13H,1-2H3,(H,25,26)/b22-20-
InChIKey OYHMLJTZOYGRSM-XDOYNYLZSA-N
Literature Reference DOI 10.1016/j.cclet.2013.11.009
Molecular Weight 445.331 g/mol
SMILES OC(C(C)N1C(=CS\C1=N\C(c1ccc(cc1)C)=O)c1ccc(cc1)Br)=O
SPLASH splash10-01b9-4905000000-bc8539aa1957b087dc66
Source of Spectrum CCL-25-121-4l
Synonyms (Z)-2-(4-(4-bromophenyl)-2-((4-methylbenzoyl)imino)thiazol-3(2H)-yl)propanoic acid
Wiley ID 1743754