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6-Aminocaproic acid, N-isobutoxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-isobutoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID 9gQ53OYEWvE
InChI InChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-29-24(27)19-16-15-17-20-26-25(28)30-22-23(2)3/h23H,4-22H2,1-3H3,(H,26,28)
InChIKey MZTVESUBEJTEJH-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 BYYtC8j0y70
Name 6-Aminocaproic acid, N-isobutoxycarbonyl-, 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/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-29-24(27)19-16-15-17-20-26-25(28)30-22-23(2)3/h23H,4-22H2,1-3H3,(H,26,28)
InChIKey MZTVESUBEJTEJH-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES C(COC(NCCCCCC(OCCCCCCCCCCCCCC)=O)=O)(C)C