| SpectraBase Spectrum ID |
1XME1jgV7po |
| Name |
3-(Benzo[d][1,3]dioxol-5-yl)-4,4,4-trifluorobutanenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H8F3NO2 |
| InChI |
InChI=1S/C11H8F3NO2/c12-11(13,14)8(3-4-15)7-1-2-9-10(5-7)17-6-16-9/h1-2,5,8H,3,6H2 |
| InChIKey |
PEVHWVMVUBKACC-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
243.185 g/mol |
| Reported Formula |
C11H8F3NO2 |
| SMILES |
c12c(ccc(C(CC#N)C(F)(F)F)c2)OCO1 |
| SPLASH |
splash10-0udi-0290000000-f058b41652d7855dbce4 |
| Source of Spectrum |
A1-23-SM59-2s |
| Wiley ID |
1870246 |
![3-(Benzo[d][1,3]dioxol-5-yl)-4,4,4-trifluorobutanenitrile](/api/spectrum/1XME1jgV7po/structure.png?h=300&w=458 "3-(Benzo[d][1,3]dioxol-5-yl)-4,4,4-trifluorobutanenitrile")
