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6-Aminocaproic acid, N-ethoxycarbonyl-, isobutyl ester

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

6-Aminocaproic acid, N-ethoxycarbonyl-, isobutyl ester
SpectraBase Compound ID HUFZBLw4twZ
InChI InChI=1S/C13H25NO4/c1-4-17-13(16)14-9-7-5-6-8-12(15)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey XLJPTODCQRPCLJ-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JKuaLce3xFu
Name 6-Aminocaproic acid, N-ethoxycarbonyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-4-17-13(16)14-9-7-5-6-8-12(15)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey XLJPTODCQRPCLJ-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCOC(NCCCCCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87671