| SpectraBase Spectrum ID |
298ePG7JKnS |
| Name |
2-benzyl-2-methyl-3-oxopentanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO |
| InChI |
InChI=1S/C13H15NO/c1-3-12(15)13(2,10-14)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3 |
| InChIKey |
WEJVPHPSPDUYQU-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Molecular Weight |
201.269 g/mol |
| Optical Rotation |
[a]D20 = +42.0 (c = 0.34, CHCl3) |
| Quality |
97 |
| Reported Formula |
C13H15NO |
| SMILES |
C(C(=O)C(CC=1C=CC=CC1)(C)C#N)C |
| SPLASH |
splash10-0a4i-9000000000-767feb064c72cb1df8a8 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM16-3m (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901861 |
