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1-(5-Nitro-2-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-toluoyl)piperazine

View entire compound with spectra: 2 NMR, and 1 FTIR

1-(5-Nitro-2-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-toluoyl)piperazine
SpectraBase Compound ID AtBiDHKwpCJ
InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)13-3-1-2-12(10-13)16(25)23-8-6-22(7-9-23)15-5-4-14(11-21-15)24(26)27/h1-5,10-11H,6-9H2
InChIKey FBKVSDUAHUXDQH-UHFFFAOYSA-N
Mol Weight 380.33 g/mol
Molecular Formula C17H15F3N4O3
Exact Mass 380.109625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1eRAHSRfCR
Name 1-(5-Nitro-2-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-toluoyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.109624845 u
Formula C17H15F3N4O3
InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)13-3-1-2-12(10-13)16(25)23-8-6-22(7-9-23)15-5-4-14(11-21-15)24(26)27/h1-5,10-11H,6-9H2
InChIKey FBKVSDUAHUXDQH-UHFFFAOYSA-N
Molecular Weight 380.327 g/mol
SMILES N(=O)(=O)C=1C=NC(N2CCN(C(C3=CC=CC(=C3)C(F)(F)F)=O)CC2)=CC1