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2-(3',5'-Dimethyl-4'-isoxazolyl)-5-phenyl-2-pentenonitrile
SpectraBase Compound ID atHCgB1rCn
InChI InChI=1S/C16H16N2O/c1-12-16(13(2)19-18-12)15(11-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,10H,6,9H2,1-2H3/b15-10-
InChIKey BUEHDBIIVAIDOS-GDNBJRDFSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65bdBFYDyry
Name 2-(3',5'-Dimethyl-4'-isoxazolyl)-5-phenyl-2-pentenonitrile
Alternate Name(s) (2E)-2-(3,5-dimethyl-4-isoxazolyl)-5-phenyl-2-pentenenitrile 2-(3',5'-Dimethyl-4'-oxazolyl)-5-phenyl-2-pentenonitrile
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Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-12-16(13(2)19-18-12)15(11-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,10H,6,9H2,1-2H3/b15-10-
InChIKey BUEHDBIIVAIDOS-GDNBJRDFSA-N
Molecular Weight 252.317 g/mol
SMILES c1(c(onc1C)C)\C(C#N)=C/CCc1ccccc1
SPLASH splash10-0006-9020000000-16ab35e425a3501d8242
Source of Spectrum Y4-83-192-39
Wiley ID 1550018