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2-(Piperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-one
SpectraBase Compound ID 2mjYBij5Kna
InChI InChI=1S/C14H17F3N2O/c1-10(19-8-6-18-7-9-19)13(20)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKey AHIOBEBDNIWSEC-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C14H17F3N2O
Exact Mass 286.129298 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID kWVY39Qgi1
Name 2-(Piperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.129297663 u
Formula C14H17F3N2O
InChI InChI=1S/C14H17F3N2O/c1-10(19-8-6-18-7-9-19)13(20)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKey AHIOBEBDNIWSEC-UHFFFAOYSA-N
Molecular Weight 286.298 g/mol
SMILES C1=C(C=CC(=C1)C(C(N1CCNCC1)C)=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911814