| SpectraBase Spectrum ID |
9lg7XJW6FYJ |
| Name |
2-benzyl-2-butyl-3-oxo-3-phenylpropanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.162314299 u |
| Formula |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c1-2-3-14-20(16-21,15-17-10-6-4-7-11-17)19(22)18-12-8-5-9-13-18/h4-13H,2-3,14-15H2,1H3 |
| InChIKey |
UDFPDOYHDMAIAD-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Optical Rotation |
[a]D20 = +48.0 (c = 0.20, CHCl3) |
| Quality |
88 |
| Reported Formula |
C20H21NO |
| SMILES |
C1(C(=O)C(CC2=CC=CC=C2)(CCCC)C#N)=CC=CC=C1 |
| SPLASH |
splash10-0a4i-5900000000-95c817f6ba0b3cfb6f48 |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM17-3o (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901863 |
