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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-fluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID 1ui6EVawhVX
InChI InChI=1S/C25H40FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(29)21(2)27-24(28)22-18-15-16-19-23(22)26/h15-16,18-19,21H,3-14,17,20H2,1-2H3,(H,27,28)
InChIKey ZFQIYJGTHIFORK-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C25H40FNO3
Exact Mass 421.299222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ld8WTuGbv2g
Name L-Alanine, N-(2-fluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.299222312 u
Formula C25H40FNO3
InChI InChI=1S/C25H40FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(29)21(2)27-24(28)22-18-15-16-19-23(22)26/h15-16,18-19,21H,3-14,17,20H2,1-2H3,(H,27,28)
InChIKey ZFQIYJGTHIFORK-UHFFFAOYSA-N
Molecular Weight 421.597 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)C)=O)F