SpectraBase Spectrum ID |
AABZPiqRw0g |
Name |
Cyclopropanemethanol, .alpha.-methyl-.alpha.-[3-[2-(3-pyridinyl)-1-piperidinyl]-1-propynyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.188863400 u |
Formula |
C18H24N2O |
InChI |
InChI=1S/C18H24N2O/c1-18(21,16-8-9-16)10-5-13-20-12-3-2-7-17(20)15-6-4-11-19-14-15/h4,6,11,14,16-17,21H,2-3,7-9,12-13H2,1H3 |
InChIKey |
DGDQAXYQNZLNJU-UHFFFAOYSA-N |
Molecular Weight |
284.403 g/mol |
SMILES |
C1(C(C#CCN2CCCCC2C2=CN=CC=C2)(O)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901988 |