For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Benzyl-2-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylpropionitrile

View entire compound with spectra: 1 MS (GC)

2-Benzyl-2-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylpropionitrile
SpectraBase Compound ID LxFs9FE6BPz
InChI InChI=1S/C21H20N2O/c1-16-20(17(2)24-23-16)21(15-22,13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12H,13-14H2,1-2H3
InChIKey DEEROJLSWCCAKU-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C21H20N2O
Exact Mass 316.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4huD3qr5M2F
Name 2-Benzyl-2-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylpropionitrile
Alternate Name(s) 2-Benzyl-2-(3,5-dimethyl-4-isoxazolyl)-3-phenylpropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O
InChI InChI=1S/C21H20N2O/c1-16-20(17(2)24-23-16)21(15-22,13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12H,13-14H2,1-2H3
InChIKey DEEROJLSWCCAKU-UHFFFAOYSA-N
Molecular Weight 316.404 g/mol
SMILES C(c1c(onc1C)C)(C#N)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9120000000-307cc035fbf016423fe6
Source of Spectrum Y4-83-190-27
Wiley ID 1549975