| SpectraBase Spectrum ID |
GHtVXt2oIr |
| Name |
4-(1-cyano-3-phenyl-propyl)benzonitrile |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2025 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/c18-12-15-7-9-16(10-8-15)17(13-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11H2 |
| InChIKey |
ZPBLDWKHIKOLKO-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 |
121 |
| Reported Formula |
C17H14N2 |
| SMILES |
C1=CC(=CC=C1)CCC(C1=CC=C(C=C1)C#N)C#N |
| SPLASH |
splash10-0a4m-9840000000-640d9147c3e8bb67fdfa |
| Sample Comments |
rr = 93:7, er = 88:12 |
| Source of Spectrum |
K1-26-SM37-13c (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.19 (cHex/EtOAc, 9:1) |
| Wiley ID |
1910427 |
