| SpectraBase Spectrum ID |
4mU5dY7KCN3 |
| Name |
1-Aminocyclopentanecarboxylic acid, N-butoxycarbonyl-, tetradecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-18-22-29-23(27)25(19-16-17-20-25)26-24(28)30-21-6-4-2/h3-22H2,1-2H3,(H,26,28) |
| InChIKey |
ALWBIDKVLFPIAX-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
CCCCOC(NC1(C(OCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821874 |
