| SpectraBase Spectrum ID |
1OWWZ4kVILM |
| Name |
1-Aminocyclopentanecarboxylic acid, N-propyloxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-31-25(29)27(21-18-19-22-27)28-26(30)32-23-4-2/h3-24H2,1-2H3,(H,28,30) |
| InChIKey |
MECLFZGAGFIUDA-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
CCCOC(NC1(C(OCCCCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928831 |
