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2-Aminocaprylic acid, N-methoxycarbonyl-, hexadecyl ester

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

2-Aminocaprylic acid, N-methoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID ySn6eggsje
InChI InChI=1S/C26H51NO4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-31-25(28)24(27-26(29)30-3)22-20-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,29)
InChIKey SNCVTMXXRVZDJA-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4SVWCEO4fZi
Name 2-Aminocaprylic acid, N-methoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-31-25(28)24(27-26(29)30-3)22-20-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,29)
InChIKey SNCVTMXXRVZDJA-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCCCCCC(NC(OC)=O)C(=O)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951468