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6-Aminocaproic acid, N-ethoxycarbonyl-, heptadecyl ester

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

6-Aminocaproic acid, N-ethoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID CfZv4bgDHBn
InChI InChI=1S/C26H51NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-25(28)22-19-18-20-23-27-26(29)30-4-2/h3-24H2,1-2H3,(H,27,29)
InChIKey JZIGPBOTUYIFBK-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tFQCGIj9Jj
Name 6-Aminocaproic acid, N-ethoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-25(28)22-19-18-20-23-27-26(29)30-4-2/h3-24H2,1-2H3,(H,27,29)
InChIKey JZIGPBOTUYIFBK-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCOC(NCCCCCC(OCCCCCCCCCCCCCCCCC)=O)=O