SpectraBase Spectrum ID |
J7Tvnt63LAU |
Name |
1-(2-(4-Fluorophenoxy)ethyl)piperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.132491337 u |
Formula |
C12H17FN2O |
InChI |
InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2 |
InChIKey |
IHVXZESETSWDAC-UHFFFAOYSA-N |
Molecular Weight |
224.279 g/mol |
SMILES |
C1(F)=CC=C(C=C1)OCCN1CCNCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836097 |