For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Fluoro-4-piperazin-1-yl-benzonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Fluoro-4-piperazin-1-yl-benzonitrile
SpectraBase Compound ID 8hdK0N7guuH
InChI InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKey VMOBEAUQUPPPON-UHFFFAOYSA-N
Mol Weight 205.24 g/mol
Molecular Formula C11H12FN3
Exact Mass 205.101526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7LHIAJG7y0Q
Name 3-Fluoro-4-piperazin-1-yl-benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.101525561 u
Formula C11H12FN3
InChI InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKey VMOBEAUQUPPPON-UHFFFAOYSA-N
Molecular Weight 205.236 g/mol
SMILES C1(N2CCNCC2)=C(C=C(C#N)C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81742