| SpectraBase Spectrum ID |
LxeafwMddAa |
| Name |
1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-23(27)25(20-17-18-21-25)26-24(28)29-2/h3-22H2,1-2H3,(H,26,28) |
| InChIKey |
BZQSYAQRABJSRW-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
COC(NC1(C(OCCCCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930763 |
