SpectraBase Spectrum ID |
C4X2jhXD0HI |
Name |
2-(4-Piperidin-4-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.157563271 u |
Formula |
C15H20N2O |
InChI |
InChI=1S/C15H20N2O/c18-15(13-5-8-16-9-6-13)17-10-7-12-3-1-2-4-14(12)11-17/h1-4,13,16H,5-11H2 |
InChIKey |
BAUPZLTVOMQSAD-UHFFFAOYSA-N |
Molecular Weight |
244.338 g/mol |
SMILES |
C(=O)(N1CC2=C(CC1)C=CC=C2)C1CCNCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974972 |