SpectraBase Spectrum ID |
3RlMT0dT5wm |
Name |
1H-Quinoline-4-one, 1,2,3,4,5,6,7,8-octahydro-1-(1-phenylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.162314299 u |
Formula |
C17H21NO |
InChI |
InChI=1S/C17H21NO/c1-13(14-7-3-2-4-8-14)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-4,7-8,13H,5-6,9-12H2,1H3 |
InChIKey |
ZNQDXRWCJGAABK-UHFFFAOYSA-N |
Molecular Weight |
255.361 g/mol |
SMILES |
C1(=CC=CC=C1)C(N1CCC(C=2CCCCC12)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875875 |