| SpectraBase Spectrum ID |
Kt8bm7pUKKR |
| Name |
6-Aminocaproic acid, N-propoxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-3-5-6-7-8-9-10-11-12-16-20-26-21(24)17-14-13-15-18-23-22(25)27-19-4-2/h3-20H2,1-2H3,(H,23,25) |
| InChIKey |
WOSKZPPBOXZFNQ-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
CCCOC(NCCCCCC(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815062 |
