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3-(1H-Benzo[D][1,2,3]triazol-1-yl)-1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-one

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3-(1H-Benzo[D][1,2,3]triazol-1-yl)-1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-one
SpectraBase Compound ID GYCDoctqR2p
InChI InChI=1S/C20H20F3N5O/c21-20(22,23)15-4-3-5-16(14-15)26-10-12-27(13-11-26)19(29)8-9-28-18-7-2-1-6-17(18)24-25-28/h1-7,14H,8-13H2
InChIKey OFKWPKJEJAVCDB-UHFFFAOYSA-N
Mol Weight 403.41 g/mol
Molecular Formula C20H20F3N5O
Exact Mass 403.161995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XZs0XjF5JJ
Name 3-(1H-Benzo[D][1,2,3]triazol-1-yl)-1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.161994772 u
Formula C20H20F3N5O
InChI InChI=1S/C20H20F3N5O/c21-20(22,23)15-4-3-5-16(14-15)26-10-12-27(13-11-26)19(29)8-9-28-18-7-2-1-6-17(18)24-25-28/h1-7,14H,8-13H2
InChIKey OFKWPKJEJAVCDB-UHFFFAOYSA-N
Molecular Weight 403.409 g/mol
SMILES C(CCN1N=NC=2C1=CC=CC2)(=O)N1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F