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

*Links on SpectraBase are not permalinks.

L-Isoleucine, N-neopentyloxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-neopentyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID mgLDoOLcQV
InChI InChI=1S/C27H53NO4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25(29)24(23(3)8-2)28-26(30)32-22-27(4,5)6/h23-24H,7-22H2,1-6H3,(H,28,30)
InChIKey FABOWJYRTIZENS-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8qqXiPpABqY
Name L-Isoleucine, N-neopentyloxycarbonyl-, pentadecyl 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/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25(29)24(23(3)8-2)28-26(30)32-22-27(4,5)6/h23-24H,7-22H2,1-6H3,(H,28,30)
InChIKey FABOWJYRTIZENS-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O