| SpectraBase Spectrum ID |
93LyoBLbptZ |
| Name |
14-Methyl-heptadecanoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.334465008 u |
| Formula |
C22H43NO |
| InChI |
InChI=1S/C22H43NO/c1-3-16-21(2)17-12-10-8-6-4-5-7-9-11-13-18-22(24)23-19-14-15-20-23/h21H,3-20H2,1-2H3 |
| InChIKey |
WHHIDRNJOJYGSG-UHFFFAOYSA-N |
| Molecular Weight |
337.592 g/mol |
| SMILES |
C(N1CCCC1)(CCCCCCCCCCCCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90895 |
