| SpectraBase Spectrum ID |
BWnnUIEOyv5 |
| Name |
2-benzyl-2-methyl-3-oxobutanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.099714042 u |
| Formula |
C12H13NO |
| InChI |
InChI=1S/C12H13NO/c1-10(14)12(2,9-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
| InChIKey |
CJKURGFKBMKDLQ-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Molecular Weight |
187.242 g/mol |
| Optical Rotation |
[a]D20 = +34.1 (c = 0.12, CHCl3) |
| Quality |
196 |
| Reported Formula |
C12H13NO |
| SMILES |
CC(=O)C(CC=1C=CC=CC1)(C)C#N |
| SPLASH |
splash10-0006-9200000000-7e01f7adc642196cea2a |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM16-3l (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901860 |
