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2-[2-(4-Methylbenzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]propanoic acid
SpectraBase Compound ID Dq92m5VemE5
InChI InChI=1S/C21H20N2O4S/c1-13-4-6-16(7-5-13)19(24)22-21-23(14(2)20(25)26)18(12-28-21)15-8-10-17(27-3)11-9-15/h4-12,14H,1-3H3,(H,25,26)/b22-21-
InChIKey BIVNVXQTRMGLMJ-DQRAZIAOSA-N
Mol Weight 396.46 g/mol
Molecular Formula C21H20N2O4S
Exact Mass 396.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNCix8zXrs8
Name 2-[2-(4-Methylbenzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O4S
InChI InChI=1S/C21H20N2O4S/c1-13-4-6-16(7-5-13)19(24)22-21-23(14(2)20(25)26)18(12-28-21)15-8-10-17(27-3)11-9-15/h4-12,14H,1-3H3,(H,25,26)/b22-21-
InChIKey BIVNVXQTRMGLMJ-DQRAZIAOSA-N
Literature Reference DOI 10.1016/j.cclet.2013.11.009
Molecular Weight 396.461 g/mol
SMILES OC(C(C)N1C(=CS\C1=N\C(c1ccc(cc1)C)=O)c1ccc(cc1)OC)=O
SPLASH splash10-01b9-9803000000-4c45897ece5fe7156e82
Source of Spectrum CCL-25-121-4k
Synonyms (Z)-2-(4-(4-methoxyphenyl)-2-((4-methylbenzoyl)imino)thiazol-3(2H)-yl)propanoic acid
Wiley ID 1743753