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(E)-4-(4-Chlorophenylcarbamoyl)-2-methylbut-2-enoic acid
SpectraBase Compound ID Gjq9WohG0U7
InChI InChI=1S/C12H12ClNO3/c1-8(12(16)17)2-7-11(15)14-10-5-3-9(13)4-6-10/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b8-2+
InChIKey WPFRQGLCOPWVFN-KRXBUXKQSA-N
Mol Weight 253.68 g/mol
Molecular Formula C12H12ClNO3
Exact Mass 253.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZbYDoopuYp
Name (E)-4-(4-Chlorophenylcarbamoyl)-2-methylbut-2-enoic acid
Alternate Name(s) (2E)-5-(4-chloroanilino)-2-methyl-5-oxo-2-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c1-8(12(16)17)2-7-11(15)14-10-5-3-9(13)4-6-10/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b8-2+
InChIKey WPFRQGLCOPWVFN-KRXBUXKQSA-N
Molecular Weight 253.685 g/mol
SMILES N(C(C\C=C\(C(=O)O)C)=O)c1ccc(cc1)Cl
SPLASH splash10-004i-0930000000-09128811789a107d2994
Source of Spectrum F4-0-3096-14
Wiley ID 1620658