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6-Aminocaproic acid, N-propoxycarbonyl-, propyl ester

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6-Aminocaproic acid, N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID J5mseEKQ2eY
InChI InChI=1S/C13H25NO4/c1-3-10-17-12(15)8-6-5-7-9-14-13(16)18-11-4-2/h3-11H2,1-2H3,(H,14,16)
InChIKey BXSDWVWWVXPKRH-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 vac7SpB9L4
Name 6-Aminocaproic acid, N-propoxycarbonyl-, propyl 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/c1-3-10-17-12(15)8-6-5-7-9-14-13(16)18-11-4-2/h3-11H2,1-2H3,(H,14,16)
InChIKey BXSDWVWWVXPKRH-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCCOC(NCCCCCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965695