SpectraBase Spectrum ID |
AlD3r5u3YGF |
Name |
6-Aminocaproic acid, N-ethoxycarbonyl-, propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.162708221 u |
Formula |
C12H23NO4 |
InChI |
InChI=1S/C12H23NO4/c1-3-10-17-11(14)8-6-5-7-9-13-12(15)16-4-2/h3-10H2,1-2H3,(H,13,15) |
InChIKey |
NBJXJLJTMOWJNE-UHFFFAOYSA-N |
Molecular Weight |
245.319 g/mol |
SMILES |
CCOC(NCCCCCC(OCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913748 |