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(E)-4-(4-Chlorophenylcarbamoyl)-3-methylbut-2-enoic acid
SpectraBase Compound ID 7lFWZLAU1G8
InChI InChI=1S/C12H12ClNO3/c1-8(7-12(16)17)6-11(15)14-10-4-2-9(13)3-5-10/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)/b8-7+
InChIKey XMUKYSGLOWJGBK-BQYQJAHWSA-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 5ODy3JNnWgv
Name (E)-4-(4-Chlorophenylcarbamoyl)-3-methylbut-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c1-8(7-12(16)17)6-11(15)14-10-4-2-9(13)3-5-10/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)/b8-7+
InChIKey XMUKYSGLOWJGBK-BQYQJAHWSA-N
Molecular Weight 253.685 g/mol
SMILES N(C(C\C(=C\C(=O)O)C)=O)c1ccc(cc1)Cl
SPLASH splash10-004i-0950000000-a4d7be6701926cdefa49
Source of Spectrum F4-0-3096-15
Synonyms (2E)-5-(4-chloroanilino)-3-methyl-5-oxo-2-pentenoic acid
Wiley ID 1620657