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2-[5-(4-bromobenzoyl)-2-phenyl-thiazol-4-yl]-2-cyano-acetic acid ethyl ester
SpectraBase Compound ID 7EArQBZe0mJ
InChI InChI=1S/C21H15BrN2O3S/c1-2-27-21(26)16(12-23)17-19(18(25)13-8-10-15(22)11-9-13)28-20(24-17)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3
InChIKey PRNYDFAQEQHERO-UHFFFAOYSA-N
Mol Weight 455.33 g/mol
Molecular Formula C21H15BrN2O3S
Exact Mass 453.998677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIqC5iwcOd8
Name 2-[5-(4-bromobenzoyl)-2-phenyl-thiazol-4-yl]-2-cyano-acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15BrN2O3S
InChI InChI=1S/C21H15BrN2O3S/c1-2-27-21(26)16(12-23)17-19(18(25)13-8-10-15(22)11-9-13)28-20(24-17)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3
InChIKey PRNYDFAQEQHERO-UHFFFAOYSA-N
Molecular Weight 455.326 g/mol
SMILES C(C(c1nc(sc1C(c1ccc(cc1)Br)=O)-c1ccccc1)C#N)(=O)OCC
SPLASH splash10-0pb9-0504900000-897164c9ea06cd2688fc
Source of Spectrum O1-63-2325-8
Synonyms 2-[5-[(4-bromophenyl)-oxomethyl]-2-phenyl-4-thiazolyl]-2-cyanoacetic acid ethyl ester Ethyl 2-[5-(4-bromobenzoyl)-2-phenyl-1,3-thiazol-4-yl]-2-cyanoacetate Ethyl 2-[5-(4-bromobenzoyl)-2-phenyl-thiazol-4-yl]-2-cyano-acetate Ethyl 2-[5-(4-bromophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]-2-cyano-ethanoate
Wiley ID 1592844