| SpectraBase Spectrum ID |
4k8oH6O4nI |
| Name |
2-benzyl-3-(4-fluorophenyl)-3-oxopropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.090292172 u |
| Formula |
C16H12FNO |
| InChI |
InChI=1S/C16H12FNO/c17-15-8-6-13(7-9-15)16(19)14(11-18)10-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey |
DIVOHPXWVSSFEP-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Molecular Weight |
253.276 g/mol |
| Quality |
239 |
| Reported Formula |
C16H12FNO |
| SMILES |
C1(=CC=CC=C1)CC(C#N)C(=O)C1=CC=C(C=C1)F |
| SPLASH |
splash10-00dj-9500000000-34796fff826bd93ca959 |
| Source of Spectrum |
ACI-55-SM14-2d (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899106 |
