| SpectraBase Spectrum ID |
3RmefdFezoK |
| Name |
2-methyl-2-(4-nitrophenylmethyl)-3-oxo-3-phenylpropanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.100442316 u |
| Formula |
C17H14N2O3 |
| InChI |
InChI=1S/C17H14N2O3/c1-17(12-18,16(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)19(21)22/h2-10H,11H2,1H3 |
| InChIKey |
SVTKIHHMEVJHKU-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Optical Rotation |
[a]D20 = +20.5 (c = 0.28, CHCl3) |
| Quality |
71 |
| Reported Formula |
C17H14N2O3 |
| SMILES |
C1=CC(=CC=C1)C(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)(C)C#N |
| SPLASH |
splash10-0a6r-5900000000-1d7628c9936c230e59a2 |
| Sample Comments |
94% ee |
| Source of Spectrum |
QE-24-SM12-3d (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901853 |
