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2-[3',5'-Dimethyl-4'-isoxazolyl)-5-phenyl-4-pentenonitrile

View entire compound with spectra: 1 MS (GC)

2-[3',5'-Dimethyl-4'-isoxazolyl)-5-phenyl-4-pentenonitrile
SpectraBase Compound ID FudPeSx5Ie4
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/h3-9,15H,10H2,1-2H3/b9-6+
InChIKey OWUGPXWVCKNPHG-RMKNXTFCSA-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 2La57bSag1S
Name 2-[3',5'-Dimethyl-4'-isoxazolyl)-5-phenyl-4-pentenonitrile
Alternate Name(s) (4E)-2-(3,5-dimethyl-4-isoxazolyl)-5-phenyl-4-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h3-9,15H,10H2,1-2H3/b9-6+
InChIKey OWUGPXWVCKNPHG-RMKNXTFCSA-N
Molecular Weight 252.317 g/mol
SMILES c1(onc(c1C(C#N)C\C=C\c1ccccc1)C)C
SPLASH splash10-014i-4900000000-9905d812d11218b95d90
Source of Spectrum Y4-83-190-8
Wiley ID 1549935