| SpectraBase Spectrum ID |
7PDyT6dixyM |
| Name |
1-Aminocyclopentanecarboxylic acid, N-butoxycarbonyl-, dodecyl 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/c1-3-5-7-8-9-10-11-12-13-16-20-27-21(25)23(17-14-15-18-23)24-22(26)28-19-6-4-2/h3-20H2,1-2H3,(H,24,26) |
| InChIKey |
OGSUXTYYGUQAEF-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
CCCCOC(NC1(C(OCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846787 |
