SpectraBase Spectrum ID |
Gl2TJ241Iv7 |
Name |
5-(3,4,5,6-Tetrahydro-2H-[3,3']bipyridinyl-1-yl)-pent-3-yn-1-ol |
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/c18-11-3-1-2-9-17-10-5-7-15(13-17)14-6-4-8-16-12-14/h4,6,8,12,15,18H,3,5,7,9-11,13H2 |
InChIKey |
DPRNUFMZVBXDCN-UHFFFAOYSA-N |
Molecular Weight |
244.338 g/mol |
SMILES |
C(#CCCO)CN1CC(C2=CC=CN=C2)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894478 |