| SpectraBase Spectrum ID |
4MhzvmPtUjj |
| Name |
2-benzyl-2,4-dimethyl-3-oxopentanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.131014170 u |
| Formula |
C14H17NO |
| InChI |
InChI=1S/C14H17NO/c1-11(2)13(16)14(3,10-15)9-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3 |
| InChIKey |
NZNHJQIMBJKNJG-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Molecular Weight |
215.296 g/mol |
| Optical Rotation |
[a]D20 = +41.4 (c = 0.10, CHCl3) |
| Quality |
96 |
| Reported Formula |
C14H17NO |
| SMILES |
C(C(=O)C(CC=1C=CC=CC1)(C)C#N)(C)C |
| SPLASH |
splash10-00dl-9000000000-3abf23b1d3c4b6e9edb6 |
| Sample Comments |
77% ee |
| Source of Spectrum |
QE-24-SM17-3n (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901862 |
