| SpectraBase Spectrum ID |
1F8OiXuadk |
| Name |
2-(3-hydroxy-4-methoxy-phenyl)-4-phenyl-butanenitrile(Autogenerated) |
| Appearance |
Pale-yellow oil |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.125928789 u |
| Formula |
C17H17NO2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C17H17NO2/c1-20-17-10-9-14(11-16(17)19)15(12-18)8-7-13-5-3-2-4-6-13/h2-6,9-11,15,19H,7-8H2,1H3 |
| InChIKey |
SUFSEGGERFCBJK-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Quality |
91 |
| Reported Formula |
C17H17NO |
| SMILES |
OC=1C=C(C(CCC=2C=CC=CC2)C#N)C=CC1OC |
| SPLASH |
splash10-07vi-0940000000-2e58ba2004fa0fd2620e |
| Sample Comments |
rr = 74:26, er = 75:25 |
| Source of Spectrum |
K1-26-SM41-13j (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.18 (cHex/EtOAc, 5:1) |
| Wiley ID |
1910432 |
