| SpectraBase Spectrum ID |
9NvVEcchPsa |
| Name |
11-Methyl-octadecanoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.350115072 u |
| Formula |
C23H45NO |
| InChI |
InChI=1S/C23H45NO/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-14-19-23(25)24-20-15-16-21-24/h22H,3-21H2,1-2H3 |
| InChIKey |
MOTDNNGJUQRFGC-UHFFFAOYSA-N |
| Molecular Weight |
351.619 g/mol |
| SMILES |
C(N1CCCC1)(CCCCCCCCCC(CCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90664 |
