| SpectraBase Spectrum ID |
39EA9IAfRJ7 |
| Name |
6-Aminocaproic acid, N-ethoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-25(28)22-19-18-20-23-27-26(29)30-4-2/h3-24H2,1-2H3,(H,27,29) |
| InChIKey |
JZIGPBOTUYIFBK-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CCOC(NCCCCCC(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831278 |
