| SpectraBase Spectrum ID |
ABiXHzvmJ01 |
| Name |
2-benzyl-3-(4-methoxyphenyl)-2-methyl-3-oxopropanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.125928789 u |
| Formula |
C18H17NO2 |
| InChI |
InChI=1S/C18H17NO2/c1-18(13-19,12-14-6-4-3-5-7-14)17(20)15-8-10-16(21-2)11-9-15/h3-11H,12H2,1-2H3 |
| InChIKey |
HYKWYBIROULDHM-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Optical Rotation |
[a]D20 = +62.8 (c = 0.95, CHCl3) |
| Quality |
82 |
| Reported Formula |
C18H17NO2 |
| SMILES |
C1=CC(=CC=C1OC)C(=O)C(CC1=CC=CC=C1)(C)C#N |
| SPLASH |
splash10-000i-1900000000-ce7924e339a91ce0abe8 |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-24-SM13-3f (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901854 |
