| SpectraBase Spectrum ID |
2XvdykASnj0 |
| Name |
1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.319208865 u |
| Formula |
C23H43NO4 |
| InChI |
InChI=1S/C23H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-21(25)23(18-15-16-19-23)24-22(26)27-2/h3-20H2,1-2H3,(H,24,26) |
| InChIKey |
JMSSYXIISVNQBT-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
COC(NC1(C(OCCCCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901336 |
