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6-Aminocaproic acid, N-isobutoxycarbonyl-, ethyl ester

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

6-Aminocaproic acid, N-isobutoxycarbonyl-, ethyl ester
SpectraBase Compound ID FOlMapYLMmV
InChI InChI=1S/C13H25NO4/c1-4-17-12(15)8-6-5-7-9-14-13(16)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey NXAKOERSLSQVPL-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 E7ydfSgUtzc
Name 6-Aminocaproic acid, N-isobutoxycarbonyl-, ethyl 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/c1-4-17-12(15)8-6-5-7-9-14-13(16)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey NXAKOERSLSQVPL-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES C(COC(NCCCCCC(OCC)=O)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982741