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Glycine, N-(2-fluorobenzoyl)-, octadecyl ester

View entire compound with spectra: 1 NMR

Glycine, N-(2-fluorobenzoyl)-, octadecyl ester
SpectraBase Compound ID nAYg8Deu9J
InChI InChI=1S/C27H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)23-29-27(31)24-20-17-18-21-25(24)28/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,31)
InChIKey CCBBAKYKMAVFKS-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H44FNO3
Exact Mass 449.330522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXiAZkCAW0h
Name Glycine, N-(2-fluorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.330522441 u
Formula C27H44FNO3
InChI InChI=1S/C27H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)23-29-27(31)24-20-17-18-21-25(24)28/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,31)
InChIKey CCBBAKYKMAVFKS-UHFFFAOYSA-N
Molecular Weight 449.651 g/mol
SMILES C1(=CC=CC=C1C(NCC(OCCCCCCCCCCCCCCCCCC)=O)=O)F