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2',5'-Dichloro-3-hydroxy-2-(p-methylanilino)crotonanilide
SpectraBase Compound ID 4bf2gprbL4R
InChI InChI=1S/C17H16Cl2N2O2/c1-10-3-6-13(7-4-10)20-16(11(2)22)17(23)21-15-9-12(18)5-8-14(15)19/h3-9,20,22H,1-2H3,(H,21,23)/b16-11+
InChIKey HCRBZAYJGGWLSA-LFIBNONCSA-N
Mol Weight 351.23 g/mol
Molecular Formula C17H16Cl2N2O2
Exact Mass 350.058883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1NBbhfB0cq
Name 2',5'-Dichloro-3-hydroxy-2-(p-methylanilino)crotonanilide
CAS Registry Number 70911-21-6
Comments Structure changed after expert review
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Formula C17H16Cl2N2O2
InChI InChI=1S/C17H16Cl2N2O2/c1-10-3-6-13(7-4-10)20-16(11(2)22)17(23)21-15-9-12(18)5-8-14(15)19/h3-9,20,22H,1-2H3,(H,21,23)/b16-11+
InChIKey HCRBZAYJGGWLSA-LFIBNONCSA-N
Molecular Weight 351.233 g/mol
SMILES N(C(\C(=C/(C)O)Nc1ccc(cc1)C)=O)c1cc(ccc1Cl)Cl
SPLASH splash10-03xu-6901000000-b767a44306de44d8756b
Source of Spectrum W5-1989-6972-1
Synonyms (2E)-N-(2,5-Dichlorophenyl)-3-hydroxy-2-(4-toluidino)-2-butenamide .alpha.-p-Methylanilino-.beta.-hydroxycrotonic acid 2,5-dichloroanilide
Wiley ID 1341778