| SpectraBase Spectrum ID |
6OiO25JthsY |
| Name |
4-(benzo[d][1,3]dioxol-5-yl(4-fluorophenyl)methyl)benzonitrile |
| Appearance |
Waxy oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.100856856 u |
| Formula |
C21H14FNO2 |
| InChI |
InChI=1S/C21H14FNO2/c22-18-8-5-16(6-9-18)21(15-3-1-14(12-23)2-4-15)17-7-10-19-20(11-17)25-13-24-19/h1-11,21H,13H2 |
| InChIKey |
ARBQDJRWVBWTMD-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202101682 |
| Molecular Weight |
331.346 g/mol |
| Quality |
17 |
| Reported Formula |
C21H14FNO2 |
| SMILES |
C1(C(C2=CC=C3C(=C2)OCO3)C2=CC=C(C=C2)F)=CC=C(C=C1)C#N |
| SPLASH |
splash10-001i-0339000000-52f37103fee2ce8a302f |
| Source of Spectrum |
ACI-60-SM20-5d (DOI: 10.1002/anie.202101682) |
| Wiley ID |
1891253 |
![4-(benzo[d][1,3]dioxol-5-yl(4-fluorophenyl)methyl)benzonitrile](/api/spectrum/6OiO25JthsY/structure.png?h=300&w=458 "4-(benzo[d][1,3]dioxol-5-yl(4-fluorophenyl)methyl)benzonitrile")
