SpectraBase Spectrum ID |
JAV0frO1QbV |
Name |
1-(2-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.148141402 u |
Formula |
C13H19FN2O |
InChI |
InChI=1S/C13H19FN2O/c14-13-4-2-1-3-12(13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2 |
InChIKey |
ARELLQRYXAQYGS-UHFFFAOYSA-N |
Molecular Weight |
238.306 g/mol |
SMILES |
C=1(C(=CC=CC1)F)CN1CCN(CC1)CCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925046 |