| SpectraBase Spectrum ID |
4oaa0aEtIoS |
| Name |
4-phenyl-2-(3,4,5-trimethoxyphenyl)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 |
311.152143537 u |
| Formula |
C19H21NO3 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C19H21NO3/c1-21-17-11-16(12-18(22-2)19(17)23-3)15(13-20)10-9-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3 |
| InChIKey |
INXULWYFIWONSF-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
311.381 g/mol |
| Quality |
96 |
| Reported Formula |
C19H21NO3 |
| SMILES |
C1=CC(=CC=C1)CCC(C1=CC(=C(C(=C1)OC)OC)OC)C#N |
| SPLASH |
splash10-0a4i-4594000000-df42e7aa08ea1ba53ecc |
| Sample Comments |
rr = 51:49 |
| Source of Spectrum |
K1-26-SM40-13i (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.08 (cHex/EtOAc, 9:1) |
| Wiley ID |
1910431 |
