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L-Alanine, N-(2-fluorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-fluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID A4LSBwWY9Ru
InChI InChI=1S/C26H42FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(30)22(2)28-25(29)23-19-16-17-20-24(23)27/h16-17,19-20,22H,3-15,18,21H2,1-2H3,(H,28,29)
InChIKey JDAHGUWAXWOGBU-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C26H42FNO3
Exact Mass 435.314872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ETw1EHq3hy
Name L-Alanine, N-(2-fluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.314872376 u
Formula C26H42FNO3
InChI InChI=1S/C26H42FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(30)22(2)28-25(29)23-19-16-17-20-24(23)27/h16-17,19-20,22H,3-15,18,21H2,1-2H3,(H,28,29)
InChIKey JDAHGUWAXWOGBU-UHFFFAOYSA-N
Molecular Weight 435.624 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)C)=O)F