SpectraBase Spectrum ID |
2kfM2U0VBJa |
Name |
4-[4-Chlorophenyl]-1-methyl-4-[tetrahydro-2-furyl]piperidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.138992031 u |
Formula |
C16H22ClNO |
InChI |
InChI=1S/C16H22ClNO/c1-18-9-8-14(12-4-6-13(17)7-5-12)15(11-18)16-3-2-10-19-16/h4-7,14-16H,2-3,8-11H2,1H3 |
InChIKey |
QPMWLLYORNEVLO-UHFFFAOYSA-N |
SMILES |
C1=C(C=CC(=C1)Cl)C1C(CN(CC1)C)C1OCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964768 |