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2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, octyl ester

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

2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, octyl ester
SpectraBase Compound ID BR7htp7Qt0B
InChI InChI=1S/C20H39NO5/c1-4-6-8-10-11-13-15-25-19(22)18(14-12-9-7-5-2)21-20(23)26-17-16-24-3/h18H,4-17H2,1-3H3,(H,21,23)
InChIKey FOGBUEMPJSSVRU-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C20H39NO5
Exact Mass 373.282823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zjqXy0Z7x
Name 2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.282823355 u
Formula C20H39NO5
InChI InChI=1S/C20H39NO5/c1-4-6-8-10-11-13-15-25-19(22)18(14-12-9-7-5-2)21-20(23)26-17-16-24-3/h18H,4-17H2,1-3H3,(H,21,23)
InChIKey FOGBUEMPJSSVRU-UHFFFAOYSA-N
Molecular Weight 373.534 g/mol
SMILES COCCOC(NC(C(OCCCCCCCC)=O)CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847749