SpectraBase Compound ID | 7wgdhaQm27d |
---|---|
InChI | InChI=1S/C11H8F3NO/c12-11(13,14)6-5-10(16)9-3-1-8(7-15)2-4-9/h1-4H,5-6H2 |
InChIKey | QYNOGBHIYCMXMN-UHFFFAOYSA-N |
Mol Weight | 227.19 g/mol |
Molecular Formula | C11H8F3NO |
Exact Mass | 227.055798 g/mol |
SpectraBase Spectrum ID | I9vNh6WTbTb |
---|---|
Name | 4-(4,4,4-Trifluorobutanoyl)-benzonitrile |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.055798370 u |
Formula | C11H8F3NO |
InChI | InChI=1S/C11H8F3NO/c12-11(13,14)6-5-10(16)9-3-1-8(7-15)2-4-9/h1-4H,5-6H2 |
InChIKey | QYNOGBHIYCMXMN-UHFFFAOYSA-N |
Molecular Weight | 227.186 g/mol |
SMILES | C(#N)C1=CC=C(C(=O)CCC(F)(F)F)C=C1 |