(2-Chloro-4,5-difluoro-phenyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

SpectraBase Compound ID	47fDUeQFHks
InChI	InChI=1S/C17H14ClF2N3O3/c18-12-10-14(20)13(19)9-11(12)17(24)22-7-5-21(6-8-22)15-3-1-2-4-16(15)23(25)26/h1-4,9-10H,5-8H2
InChIKey	TUFDWTLWIUOITB-UHFFFAOYSA-N Google Search
Mol Weight	381.77 g/mol
Molecular Formula	C17H14ClF2N3O3
Exact Mass	381.069175 g/mol

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SpectraBase Spectrum ID	4nujtZjBEyP
Name	(2-Chloro-4,5-difluoro-phenyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	381.069175346 u
Formula	C17H14ClF2N3O3
InChI	InChI=1S/C17H14ClF2N3O3/c18-12-10-14(20)13(19)9-11(12)17(24)22-7-5-21(6-8-22)15-3-1-2-4-16(15)23(25)26/h1-4,9-10H,5-8H2
InChIKey	TUFDWTLWIUOITB-UHFFFAOYSA-N
Molecular Weight	381.767 g/mol
SMILES	C=1(C(N2CCN(C3=C(N(=O)=O)C=CC=C3)CC2)=O)C(=CC(=C(C1)F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR)	0.916821