| SpectraBase Spectrum ID |
IZkjI2sOgrS |
| Name |
2-benzyl-2-methyl-3-(4-methylphenyl)-3-oxopropanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.131014170 u |
| Formula |
C18H17NO |
| InChI |
InChI=1S/C18H17NO/c1-14-8-10-16(11-9-14)17(20)18(2,13-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3 |
| InChIKey |
FTWUIWVXMZHZFE-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Molecular Weight |
263.340 g/mol |
| Optical Rotation |
[a]D20 = +53.0 (c = 0.85, CHCl3) |
| Quality |
73 |
| Reported Formula |
C18H17NO |
| SMILES |
C1=CC(=CC=C1C)C(=O)C(CC1=CC=CC=C1)(C)C#N |
| SPLASH |
splash10-014i-4900000000-a13207c7e72f00c8a4aa |
| Sample Comments |
94% ee |
| Source of Spectrum |
QE-24-SM14-3g (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901855 |
