SpectraBase Spectrum ID |
LcusI3YOHIn |
Name |
4-(3,3-Difluoroazetidin-1-yl)piperidine, N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.123069468 u |
Formula |
C10H16F2N2O |
InChI |
InChI=1S/C10H16F2N2O/c1-8(15)13-4-2-9(3-5-13)14-6-10(11,12)7-14/h9H,2-7H2,1H3 |
InChIKey |
ZYMNLVJEOSLSAY-UHFFFAOYSA-N |
Molecular Weight |
218.248 g/mol |
SMILES |
C1(F)(CN(C1)C1CCN(CC1)C(=O)C)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976747 |