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l-Alanine, N-(m-anisoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

l-Alanine, N-(m-anisoyl)-, heptadecyl ester
SpectraBase Compound ID 7LIvMHvS8tl
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-28(31)24(2)29-27(30)25-20-19-21-26(23-25)32-3/h19-21,23-24H,4-18,22H2,1-3H3,(H,29,30)
InChIKey JCPFWVGQICPTJM-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPK4gOAgjqP
Name L-Alanine, N-(m-anisoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-28(31)24(2)29-27(30)25-20-19-21-26(23-25)32-3/h19-21,23-24H,4-18,22H2,1-3H3,(H,29,30)
InChIKey JCPFWVGQICPTJM-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES C1=CC(=CC(=C1)OC)C(NC(C(OCCCCCCCCCCCCCCCCC)=O)C)=O