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

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

6-Aminocaproic acid, N-methoxycarbonyl-, isobutyl ester
SpectraBase Compound ID 5PFaVTQ3Z8Z
InChI InChI=1S/C12H23NO4/c1-10(2)9-17-11(14)7-5-4-6-8-13-12(15)16-3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CDJJKXKCXBLZRW-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FMdXVZU3zAh
Name 6-Aminocaproic acid, N-methoxycarbonyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-10(2)9-17-11(14)7-5-4-6-8-13-12(15)16-3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CDJJKXKCXBLZRW-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES COC(NCCCCCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904454