SpectraBase Spectrum ID |
AOFIF2R6VCu |
Name |
Tetrahydro-1.lambda.(6)-thiophen-3-ol, 1,1-dioxo-4-(4-phenylpiperidin-1-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.124214711 u |
Formula |
C15H21NO3S |
InChI |
InChI=1S/C15H21NO3S/c17-15-11-20(18,19)10-14(15)16-8-6-13(7-9-16)12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2 |
InChIKey |
VIFMKLYRCXCLCL-UHFFFAOYSA-N |
Molecular Weight |
295.397 g/mol |
SMILES |
C1(CS(=O)(=O)CC1O)N1CCC(CC1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947625 |