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Methyl 2-Cyano-4-methyl-4-p-chlorophenylcrotonate
SpectraBase Compound ID beXodSbbNz
InChI InChI=1S/C13H12ClNO2/c1-9(7-11(8-15)13(16)17-2)10-3-5-12(14)6-4-10/h3-7,9H,1-2H3/b11-7+
InChIKey OJAJLAUOSFWQGJ-YRNVUSSQSA-N
Mol Weight 249.7 g/mol
Molecular Formula C13H12ClNO2
Exact Mass 249.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsQ4oOW68gE
Name Methyl 2-Cyano-4-methyl-4-p-chlorophenylcrotonate
Alternate Name(s) methyl (2E)-4-(4-chlorophenyl)-2-cyano-2-pentenoate
CAS Registry Number 64252-46-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H12ClNO2
InChI InChI=1S/C13H12ClNO2/c1-9(7-11(8-15)13(16)17-2)10-3-5-12(14)6-4-10/h3-7,9H,1-2H3/b11-7+
InChIKey OJAJLAUOSFWQGJ-YRNVUSSQSA-N
Molecular Weight 249.697 g/mol
SMILES C(\C=C\(C(=O)OC)C#N)(c1ccc(cc1)Cl)C
SPLASH splash10-014i-0090000000-eb629d9349b29c230acc
Source of Spectrum J-43-630-0
Wiley ID 1252083