| SpectraBase Spectrum ID |
558D18eA4nL |
| Name |
3-(4-Oxo-2-phenylchroman-2-yl)propanenitrile |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15NO2 |
| InChI |
InChI=1S/C18H15NO2/c19-12-6-11-18(14-7-2-1-3-8-14)13-16(20)15-9-4-5-10-17(15)21-18/h1-5,7-10H,6,11,13H2 |
| InChIKey |
PBANUHZUBFNJMK-UHFFFAOYSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Quality |
85 |
| Reported Formula |
C18H15NO2 |
| SMILES |
C1(=O)CC(OC2=C1C=CC=C2)(CCC#N)C1=CC=CC=C1 |
| SPLASH |
splash10-00di-0190000000-9bb49f5456d34a1b43a6 |
| Source of Spectrum |
QE-21-SM20-21 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.14 (n-pentane/Et2O, 1:1) |
| Wiley ID |
1907592 |
