| SpectraBase Spectrum ID |
3Mn8j7DmA8Z |
| Name |
1-Aminocyclopentanecarboxylic acid, N-propyloxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.397459187 u |
| Formula |
C28H53NO4 |
| InChI |
InChI=1S/C28H53NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-26(30)28(22-19-20-23-28)29-27(31)33-24-4-2/h3-25H2,1-2H3,(H,29,31) |
| InChIKey |
QKHOQEXVEBBRHX-UHFFFAOYSA-N |
| Molecular Weight |
467.735 g/mol |
| SMILES |
CCCOC(NC1(C(OCCCCCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939341 |
