SpectraBase Spectrum ID |
7wX59Gf337P |
Name |
4-(3,4-Difluorophenyl)piperidine, N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.112170432 u |
Formula |
C13H15F2NO |
InChI |
InChI=1S/C13H15F2NO/c1-9(17)16-6-4-10(5-7-16)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7H2,1H3 |
InChIKey |
QQPSHAFECVZUCU-UHFFFAOYSA-N |
Molecular Weight |
239.266 g/mol |
SMILES |
C1(F)=CC(=CC=C1F)C1CCN(CC1)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90315 |