| SpectraBase Spectrum ID |
k1Wa3MXXKz |
| Name |
2-(4-methoxyphenylmethyl)-2-methyl-3-oxo-3-phenylpropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.125928789 u |
| Formula |
C18H17NO2 |
| InChI |
InChI=1S/C18H17NO2/c1-18(13-19,17(20)15-6-4-3-5-7-15)12-14-8-10-16(21-2)11-9-14/h3-11H,12H2,1-2H3 |
| InChIKey |
KOJAKSWBPKJYSM-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Optical Rotation |
[a]D20 = +53.3 (c = 0.61, CHCl3) |
| Quality |
60 |
| Reported Formula |
C18H17NO2 |
| SMILES |
C1=CC(=CC=C1)C(=O)C(CC1=CC=C(C=C1)OC)(C)C#N |
| SPLASH |
splash10-00di-0900000000-731d83e0b5d1fe65da1e |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-24-SM12-3c (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901852 |
