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Aminocaproic acid, N-isopropyloxycarbonyl-, methyl ester
SpectraBase Compound ID IRWhkIod2ZI
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
Mol Weight 231.29 g/mol
Molecular Formula C11H21NO4
Exact Mass 231.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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