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6-Aminocaproic acid, N-ethoxycarbonyl-, propyl ester
SpectraBase Compound ID 2YnfS3GuMWq
InChI InChI=1S/C12H23NO4/c1-3-10-17-11(14)8-6-5-7-9-13-12(15)16-4-2/h3-10H2,1-2H3,(H,13,15)
InChIKey NBJXJLJTMOWJNE-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 AlD3r5u3YGF
Name 6-Aminocaproic acid, N-ethoxycarbonyl-, propyl 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/c1-3-10-17-11(14)8-6-5-7-9-13-12(15)16-4-2/h3-10H2,1-2H3,(H,13,15)
InChIKey NBJXJLJTMOWJNE-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCOC(NCCCCCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913748