| SpectraBase Spectrum ID |
FTjIx8yARxF |
| Name |
2-(3-hydroxy-4-methoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butanenitrile |
| Appearance |
Pale-yellow oil |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.157622840 u |
| Formula |
C20H23NO5 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C20H23NO5/c1-23-17-8-7-14(11-16(17)22)15(12-21)6-5-13-9-18(24-2)20(26-4)19(10-13)25-3/h7-11,15,22H,5-6H2,1-4H3 |
| InChIKey |
DLPRYIIXJAXSIU-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
357.406 g/mol |
| Quality |
25 |
| Reported Formula |
C20H23NO5 |
| SMILES |
OC=1C=C(C(CCC=2C=C(C(=C(C2)OC)OC)OC)C#N)C=CC1OC |
| SPLASH |
splash10-053r-0903000000-cb8f10d6e2e1104c6482 |
| Sample Comments |
rr = 98:2, er = 76:24 |
| Source of Spectrum |
K1-26-SM42-13k (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.19 (cHex/EtOAc, 2:1) |
| Wiley ID |
1910433 |
