SpectraBase Compound ID | JjbT8hyIfk3 |
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InChI | InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2 |
InChIKey | DLUXDOKFRWDPBN-UHFFFAOYSA-N |
Mol Weight | 258.24 g/mol |
Molecular Formula | C12H13F3N2O |
Exact Mass | 258.097998 g/mol |
SpectraBase Spectrum ID | GTPToW1LcCa |
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Name | Piperazin-1-yl(3-(trifluoromethyl)phenyl)methanone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 258.097997535 u |
Formula | C12H13F3N2O |
InChI | InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2 |
InChIKey | DLUXDOKFRWDPBN-UHFFFAOYSA-N |
Molecular Weight | 258.244 g/mol |
SMILES | C1(=CC=CC(=C1)C(=O)N1CCNCC1)C(F)(F)F |