| SpectraBase Spectrum ID |
7891JEpezJG |
| Name |
4-(3-cyano-3-phenyl-propyl)benzonitrile |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.115698459 u |
| Formula |
C17H14N2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C17H14N2/c18-12-15-8-6-14(7-9-15)10-11-17(13-19)16-4-2-1-3-5-16/h1-9,17H,10-11H2 |
| InChIKey |
YZCBUTBENQMLFD-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
246.313 g/mol |
| Quality |
107 |
| Reported Formula |
C17H14N2 |
| SMILES |
C1=CC(=CC=C1)C(C#N)CCC1=CC=C(C=C1)C#N |
| SPLASH |
splash10-0159-1900000000-9f09527765f7c01c5617 |
| Sample Comments |
rr = 80:20, er = 71:29 |
| Source of Spectrum |
K1-26-SM36-13b (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.09 (cHex/EtOAc, 40:1) |
| Wiley ID |
1910426 |
