SpectraBase Compound ID | 2phKc1TjLgG |
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InChI | InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2 |
InChIKey | AFYALJSDFPSAAZ-UHFFFAOYSA-N |
Mol Weight | 179.24 g/mol |
Molecular Formula | C11H14FN |
Exact Mass | 179.111028 g/mol |
SpectraBase Spectrum ID | KdSAz7oyJHW |
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Name | 4-(4-Fluorophenyl)piperidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.111027618 u |
Formula | C11H14FN |
InChI | InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2 |
InChIKey | AFYALJSDFPSAAZ-UHFFFAOYSA-N |
Molecular Weight | 179.238 g/mol |
SMILES | C1NCCC(C1)C1=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926913 |