| SpectraBase Spectrum ID |
6wJL6Z7LQem |
| Name |
6-Aminocaproic acid, N-(2-methoxyethoxycarbonyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.173272904 u |
| Formula |
C13H25NO5 |
| InChI |
InChI=1S/C13H25NO5/c1-3-9-18-12(15)7-5-4-6-8-14-13(16)19-11-10-17-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey |
SKFQVKUODUXRAA-UHFFFAOYSA-N |
| Molecular Weight |
275.345 g/mol |
| SMILES |
COCCOC(NCCCCCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930081 |
