SpectraBase Compound ID | ERUuEyUzw31 |
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InChI | InChI=1S/C12H16FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2 |
InChIKey | HPTZGYXMDTTYBG-UHFFFAOYSA-N |
Mol Weight | 193.27 g/mol |
Molecular Formula | C12H16FN |
Exact Mass | 193.126678 g/mol |
SpectraBase Spectrum ID | AaFPvLljHCW |
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Name | 4-[(2-Fluorophenyl)methyl]piperidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 193.126677682 u |
Formula | C12H16FN |
InChI | InChI=1S/C12H16FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2 |
InChIKey | HPTZGYXMDTTYBG-UHFFFAOYSA-N |
Molecular Weight | 193.265 g/mol |
SMILES | C1NCCC(C1)CC1=C(C=CC=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851589 |