| SpectraBase Spectrum ID |
9G7p7FItLze |
| Name |
1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-24(28)26(21-18-19-22-26)27-25(29)30-2/h3-23H2,1-2H3,(H,27,29) |
| InChIKey |
YNAKVWQFYFLVBL-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
COC(NC1(C(OCCCCCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941516 |
