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N-isopropyl-4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinecarboxamide

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N-isopropyl-4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinecarboxamide
SpectraBase Compound ID LVJyv0yxvda
InChI InChI=1S/C15H19F3N4O3/c1-10(2)19-14(23)21-7-5-20(6-8-21)12-4-3-11(15(16,17)18)9-13(12)22(24)25/h3-4,9-10H,5-8H2,1-2H3,(H,19,23)
InChIKey BDWBGWKJKBONAC-UHFFFAOYSA-N
Mol Weight 360.34 g/mol
Molecular Formula C15H19F3N4O3
Exact Mass 360.140925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HWiwZ2gv09
Name N-Isopropyl-4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.140924974 u
Formula C15H19F3N4O3
InChI InChI=1S/C15H19F3N4O3/c1-10(2)19-14(23)21-7-5-20(6-8-21)12-4-3-11(15(16,17)18)9-13(12)22(24)25/h3-4,9-10H,5-8H2,1-2H3,(H,19,23)
InChIKey BDWBGWKJKBONAC-UHFFFAOYSA-N
Molecular Weight 360.337 g/mol
SMILES N(C(N1CCN(C=2C(=CC(=CC2)C(F)(F)F)N(=O)=O)CC1)=O)C(C)C