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2-Aminocaprylic acid, N-ethoxycarbonyl-, tetradecyl ester

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2-Aminocaprylic acid, N-ethoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID AEheASKj154
InChI InChI=1S/C25H49NO4/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-30-24(27)23(21-19-10-8-5-2)26-25(28)29-6-3/h23H,4-22H2,1-3H3,(H,26,28)
InChIKey PZEQXCRDMMGFEJ-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 981JirmKpeM
Name 2-Aminocaprylic acid, N-ethoxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-30-24(27)23(21-19-10-8-5-2)26-25(28)29-6-3/h23H,4-22H2,1-3H3,(H,26,28)
InChIKey PZEQXCRDMMGFEJ-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCC