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

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

2-Aminocaprylic acid, N-butoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID D6eyVmo6Awz
InChI InChI=1S/C27H53NO4/c1-4-7-10-12-13-14-15-16-17-18-19-21-24-31-26(29)25(22-20-11-8-5-2)28-27(30)32-23-9-6-3/h25H,4-24H2,1-3H3,(H,28,30)
InChIKey TVOBBDWTMCSSBB-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InXAkwQegC6
Name 2-Aminocaprylic acid, N-butoxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-4-7-10-12-13-14-15-16-17-18-19-21-24-31-26(29)25(22-20-11-8-5-2)28-27(30)32-23-9-6-3/h25H,4-24H2,1-3H3,(H,28,30)
InChIKey TVOBBDWTMCSSBB-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCCCOC(NC(C(OCCCCCCCCCCCCCC)=O)CCCCCC)=O