| SpectraBase Spectrum ID |
GyyBKTXl9Ak |
| Name |
Aminocaproic acid, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-3-9-16-11(14)12-8-6-4-5-7-10(13)15-2/h3-9H2,1-2H3,(H,12,14) |
| InChIKey |
MTLBYMSCTFMYIW-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
C(CCCCNC(OCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968858 |
