| SpectraBase Spectrum ID |
DTCOn9cBOzR |
| Name |
2-Methylene-3-phenethyl-4-phenoxypentanenitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c1-16(15-21)20(14-13-18-9-5-3-6-10-18)17(2)22-19-11-7-4-8-12-19/h3-12,17,20H,1,13-14H2,2H3 |
| InChIKey |
QBQGXFYFGHZMRA-UHFFFAOYSA-N |
| Instrument Name |
AGILENT 6890N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201900888 |
| Molecular Weight |
291.394 g/mol |
| Reported Formula |
C20H21NO |
| SMILES |
c1(CCC(C(=C)C#N)C(Oc2ccccc2)C)ccccc1 |
| SPLASH |
splash10-0006-9600000000-2459ccec7e75f4fbbe46 |
| Sample Comments |
dr = 3:2 |
| Source of Spectrum |
U1-2020-SM42-3ah (Diastereoisomer B) |
| Thin-Layer Chromatography |
Rf = 0.30 (hexane/EtOAc, 95:5) |
| Wiley ID |
1858805 |
