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2-Phenylpiperazine, N,N'-di-hfb

View entire compound with spectra: 1 FTIR

2-Phenylpiperazine, N,N'-di-hfb
SpectraBase Compound ID 8qTxeAdnaCo
InChI InChI=1S/C18H12F14N2O2/c19-13(20,15(23,24)17(27,28)29)11(35)33-6-7-34(10(8-33)9-4-2-1-3-5-9)12(36)14(21,22)16(25,26)18(30,31)32/h1-5,10H,6-8H2
InChIKey ZDTABYKGAPBVBF-UHFFFAOYSA-N
Mol Weight 554.28 g/mol
Molecular Formula C18H12F14N2O2
Exact Mass 554.067522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6H2cqdzN05J
Name 2-Phenylpiperazine, N,N'-di-hfb
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.067521914 u
Formula C18H12F14N2O2
InChI InChI=1S/C18H12F14N2O2/c19-13(20,15(23,24)17(27,28)29)11(35)33-6-7-34(10(8-33)9-4-2-1-3-5-9)12(36)14(21,22)16(25,26)18(30,31)32/h1-5,10H,6-8H2
InChIKey ZDTABYKGAPBVBF-UHFFFAOYSA-N
Molecular Weight 554.284 g/mol
SMILES C1(=CC=CC=C1)C1CN(CCN1C(C(F)(F)C(F)(F)C(F)(F)F)=O)C(C(F)(F)C(F)(F)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816024