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L-Alanine, N-cyclobutylcarbonyl-, heptadecyl ester

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

L-Alanine, N-cyclobutylcarbonyl-, heptadecyl ester
SpectraBase Compound ID GuXSJmCRNfS
InChI InChI=1S/C25H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-25(28)22(2)26-24(27)23-19-18-20-23/h22-23H,3-21H2,1-2H3,(H,26,27)
InChIKey FIXMEHPWSZMWPW-UHFFFAOYSA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jbeetfg1nD
Name L-Alanine, N-cyclobutylcarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-25(28)22(2)26-24(27)23-19-18-20-23/h22-23H,3-21H2,1-2H3,(H,26,27)
InChIKey FIXMEHPWSZMWPW-UHFFFAOYSA-N
Molecular Weight 409.655 g/mol
SMILES C1(CCC1)C(NC(C(OCCCCCCCCCCCCCCCCC)=O)C)=O