| SpectraBase Spectrum ID |
6eY3bWYg5AB |
| Name |
1-Aminocyclopentanecarboxylic acid, N-propyloxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.303558800 u |
| Formula |
C22H41NO4 |
| InChI |
InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-15-19-26-20(24)22(16-13-14-17-22)23-21(25)27-18-4-2/h3-19H2,1-2H3,(H,23,25) |
| InChIKey |
CRFZZEQGYWAUKX-UHFFFAOYSA-N |
| Molecular Weight |
383.573 g/mol |
| SMILES |
CCCOC(NC1(C(OCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817017 |
