SpectraBase Spectrum ID |
8SQGCx0pK24 |
Name |
1-(2-Fluorophenyl)piperazine ac |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.116841273 u |
Formula |
C12H15FN2O |
InChI |
InChI=1S/C12H15FN2O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3 |
InChIKey |
DQURIGLFYYBRFK-UHFFFAOYSA-N |
Molecular Weight |
222.263 g/mol |
SMILES |
C=1(N2CCN(CC2)C(=O)C)C(=CC=CC1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861961 |