SpectraBase Spectrum ID |
GTsXc8YwPTB |
Name |
2-(Morpholinomethyl)cyclooctanone, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.149556715 u |
Formula |
C13H24ClNO2 |
InChI |
InChI=1S/C13H23NO2.ClH/c15-13-6-4-2-1-3-5-12(13)11-14-7-9-16-10-8-14;/h12H,1-11H2;1H |
InChIKey |
APWCNZIRZNUWPI-UHFFFAOYSA-N |
Molecular Weight |
261.793 g/mol |
SMILES |
Cl.C1CCCCC(C(=O)C1)CN1CCOCC1 |
Spectrum/Structure Validation Score (Raman) |
0.923348 |