For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Aminocaprylic acid, N-isobutoxycarbonyl-, pentadecyl ester

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

2-Aminocaprylic acid, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 8i7GZlwOfb2
InChI InChI=1S/C28H55NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-23-32-27(30)26(22-20-10-8-6-2)29-28(31)33-24-25(3)4/h25-26H,5-24H2,1-4H3,(H,29,31)
InChIKey ATXGFWKJAMYQNI-UHFFFAOYSA-N
Mol Weight 469.8 g/mol
Molecular Formula C28H55NO4
Exact Mass 469.413109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ESL5QH0LbZk
Name 2-Aminocaprylic acid, N-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.413109251 u
Formula C28H55NO4
InChI InChI=1S/C28H55NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-23-32-27(30)26(22-20-10-8-6-2)29-28(31)33-24-25(3)4/h25-26H,5-24H2,1-4H3,(H,29,31)
InChIKey ATXGFWKJAMYQNI-UHFFFAOYSA-N
Molecular Weight 469.751 g/mol
SMILES C(CCCC(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCC)CC