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Aminocaproic acid, N-ethoxycarbonyl-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Aminocaproic acid, N-ethoxycarbonyl-, methyl ester
SpectraBase Compound ID 7lIoUOksS84
InChI InChI=1S/C10H19NO4/c1-3-15-10(13)11-8-6-4-5-7-9(12)14-2/h3-8H2,1-2H3,(H,11,13)
InChIKey BYRNSIYUMHJFBY-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C10H19NO4
Exact Mass 217.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJcpuNn9WL6
Name Aminocaproic acid, N-ethoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.131408092 u
Formula C10H19NO4
InChI InChI=1S/C10H19NO4/c1-3-15-10(13)11-8-6-4-5-7-9(12)14-2/h3-8H2,1-2H3,(H,11,13)
InChIKey BYRNSIYUMHJFBY-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES C(CCCCNC(OCC)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964086