| SpectraBase Spectrum ID |
2LlChhpvMMB |
| Name |
anti-3-(4-Oxo-3-phenylchroman-2-yl)propanenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15NO2 |
| InChI |
InChI=1S/C18H15NO2/c19-12-6-11-16-17(13-7-2-1-3-8-13)18(20)14-9-4-5-10-15(14)21-16/h1-5,7-10,16-17H,6,11H2/t16-,17-/m0/s1 |
| InChIKey |
XCWOXTRMIVHCNN-IRXDYDNUSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Quality |
85 |
| Reported Formula |
C18H15NO2 |
| SMILES |
C=1([C@]2([C@@](OC3=C(C2=O)C=CC=C3)(CCC#N)[H])[H])C=CC=CC1 |
| SPLASH |
splash10-00di-1930000000-30d982b4753fc3aba76e |
| Source of Spectrum |
QE-21-SM19-18 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.34 (cyclohexane/Et2O, 1:1) |
| Wiley ID |
1907589 |
