| SpectraBase Spectrum ID |
B5mYX1JSRJU |
| Name |
2-benzyl-3-(4-chlorophenyl)-2-methyl-3-oxopropanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.076391774 u |
| Formula |
C17H14ClNO |
| InChI |
InChI=1S/C17H14ClNO/c1-17(12-19,11-13-5-3-2-4-6-13)16(20)14-7-9-15(18)10-8-14/h2-10H,11H2,1H3 |
| InChIKey |
HUGNFXAJXBZMJZ-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Optical Rotation |
[a]D20 = +55.6 (c = 0.81, CHCl3) |
| Quality |
183 |
| Reported Formula |
C17H14ClNO |
| SMILES |
C1=CC(=CC=C1Cl)C(=O)C(CC1=CC=CC=C1)(C)C#N |
| SPLASH |
splash10-01p6-5900000000-b546da0259739e920569 |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-24-SM14-3h (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901856 |
