SpectraBase Spectrum ID |
Aoho9s4EFLA |
Name |
Pyrrolidine, 1-[9-(nonyloxy)-1-oxononyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.329379627 u |
Formula |
C22H43NO2 |
InChI |
InChI=1S/C22H43NO2/c1-2-3-4-5-7-10-15-20-25-21-16-11-8-6-9-12-17-22(24)23-18-13-14-19-23/h2-21H2,1H3 |
InChIKey |
JXUGBCODMXQBNC-UHFFFAOYSA-N |
Molecular Weight |
353.591 g/mol |
SMILES |
C(N1CCCC1)(=O)CCCCCCCCOCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896253 |