| SpectraBase Compound ID | Ee7vx8P7BAt |
|---|---|
| InChI | InChI=1S/C12H12BrF3N2O/c13-9-2-1-3-10(8-9)17-4-6-18(7-5-17)11(19)12(14,15)16/h1-3,8H,4-7H2 |
| InChIKey | WHUWDCPSCQCYMO-UHFFFAOYSA-N |
| Mol Weight | 337.14 g/mol |
| Molecular Formula | C12H12BrF3N2O |
| Exact Mass | 336.008511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Js7rlplEbUR |
|---|---|
| Name | 1-(3-Bromophenyl)piperazine, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.008510502 u |
| Formula | C12H12BrF3N2O |
| InChI | InChI=1S/C12H12BrF3N2O/c13-9-2-1-3-10(8-9)17-4-6-18(7-5-17)11(19)12(14,15)16/h1-3,8H,4-7H2 |
| InChIKey | WHUWDCPSCQCYMO-UHFFFAOYSA-N |
| Molecular Weight | 337.140 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)N1CCN(CC1)C(C(F)(F)F)=O |