SpectraBase Spectrum ID |
8QJUl6Ko1D2 |
Name |
Aminocaproic acid, N-isopropyloxycarbonyl-, 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/c1-9(2)16-11(14)12-8-6-4-5-7-10(13)15-3/h9H,4-8H2,1-3H3,(H,12,14) |
InChIKey |
RILWNVIBAFPNAM-UHFFFAOYSA-N |
Molecular Weight |
231.292 g/mol |
SMILES |
C(CCCCNC(OC(C)C)=O)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96798 |