SpectraBase Spectrum ID |
2yCt2nzBcyc |
Name |
7-Eicosenoic acid, pyrrolidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
363.350115072 u |
Formula |
C24H45NO |
InChI |
InChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h13-14H,2-12,15-23H2,1H3/b14-13- |
InChIKey |
CXQHXCBESMQEOU-YPKPFQOOSA-N |
Molecular Weight |
363.630 g/mol |
SMILES |
C1N(CCC1)C(CCCCC\C=C/CCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866944 |