| SpectraBase Spectrum ID |
BMV1jQQeJRJ |
| Name |
17-Methyl-tetracosanoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.444015458 u |
| Formula |
C29H57NO |
| InChI |
InChI=1S/C29H57NO/c1-3-4-5-15-18-23-28(2)24-19-16-13-11-9-7-6-8-10-12-14-17-20-25-29(31)30-26-21-22-27-30/h28H,3-27H2,1-2H3 |
| InChIKey |
CHWOCBPFQBLWPA-UHFFFAOYSA-N |
| Molecular Weight |
435.781 g/mol |
| SMILES |
C(N1CCCC1)(CCCCCCCCCCCCCCCC(CCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940121 |
