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.beta.-Alanine, N-neopentyloxycarbonyl-, heptadecyl ester

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

.beta.-Alanine, N-neopentyloxycarbonyl-, heptadecyl ester
SpectraBase Compound ID Hmq4gICleIe
InChI InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-24(28)20-21-27-25(29)31-23-26(2,3)4/h5-23H2,1-4H3,(H,27,29)
InChIKey ZBZVKQPZSQIHHK-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SVB5wkSNzi
Name .beta.-Alanine, N-neopentyloxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-24(28)20-21-27-25(29)31-23-26(2,3)4/h5-23H2,1-4H3,(H,27,29)
InChIKey ZBZVKQPZSQIHHK-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CC(COC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O)(C)C