| SpectraBase Spectrum ID |
3iDJKyZx8dD |
| Name |
2-(4-methoxyphenyl)-4-phenyl-butanenitrile |
| Appearance |
Colorless solid |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.131014170 u |
| Formula |
C17H17NO |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C17H17NO/c1-19-17-11-9-15(10-12-17)16(13-18)8-7-14-5-3-2-4-6-14/h2-6,9-12,16H,7-8H2,1H3 |
| InChIKey |
ORPDFMWBTQYGNL-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
251.329 g/mol |
| Quality |
136 |
| SMILES |
C1=CC(=CC=C1)CCC(C1=CC=C(C=C1)OC)C#N |
| SPLASH |
splash10-0006-9730000000-8800a9c0cb7a8812f7e3 |
| Sample Comments |
rr = 83:17, er = 74:26 |
| Source of Spectrum |
K1-26-SM39-13e (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.33 (cHex/EtOAc, 9:1)) |
| Wiley ID |
1910429 |
