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1-(4-(3,4-Dimethoxybenzoyl)piperazin-1-yl)-2,2,2-trifluoroethanone
SpectraBase Compound ID 3NI1mxZYhSw
InChI InChI=1S/C15H17F3N2O4/c1-23-11-4-3-10(9-12(11)24-2)13(21)19-5-7-20(8-6-19)14(22)15(16,17)18/h3-4,9H,5-8H2,1-2H3
InChIKey IDLWZTUAAATEGT-UHFFFAOYSA-N
Mol Weight 346.31 g/mol
Molecular Formula C15H17F3N2O4
Exact Mass 346.114042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ih8H6kXqXmw
Name 1-(4-(3,4-Dimethoxybenzoyl)piperazin-1-yl)-2,2,2-trifluoroethanone
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 346.114041520 u
Formula C15H17F3N2O4
InChI InChI=1S/C15H17F3N2O4/c1-23-11-4-3-10(9-12(11)24-2)13(21)19-5-7-20(8-6-19)14(22)15(16,17)18/h3-4,9H,5-8H2,1-2H3
InChIKey IDLWZTUAAATEGT-UHFFFAOYSA-N
Molecular Weight 346.306 g/mol
SMILES C1(=C(C=CC(=C1)C(=O)N1CCN(CC1)C(=O)C(F)(F)F)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885358