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2-Pentenoic acid, 5-cyano-2-methyl-5-phenyl-, methyl ester
SpectraBase Compound ID 7okeDmeePAW
InChI InChI=1S/C14H15NO2/c1-11(14(16)17-2)8-9-13(10-15)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/b11-8-
InChIKey AUOUSERFYWWJIX-FLIBITNWSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sMFhusw4fK
Name 2-Pentenoic acid, 5-cyano-2-methyl-5-phenyl-, methyl ester
Alternate Name(s) Methyl (2Z)-5-cyano-2-methyl-5-phenyl-2-pentenoate Methyl 5-cyano-2-methyl-5-phenyl-2-pentenoate
CAS Registry Number 106046-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c1-11(14(16)17-2)8-9-13(10-15)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/b11-8-
InChIKey AUOUSERFYWWJIX-FLIBITNWSA-N
Molecular Weight 229.279 g/mol
SMILES C(\C(=C/CC(C#N)c1ccccc1)C)(=O)OC
SPLASH splash10-014i-0920000000-f9df074238bcc46ccb61
Source of Spectrum AJ-59-1268-4
Wiley ID 1230865