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L-Alanine, N-(3-fluorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-fluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID 687riMQ9TRs
InChI InChI=1S/C26H42FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(30)22(2)28-25(29)23-18-17-19-24(27)21-23/h17-19,21-22H,3-16,20H2,1-2H3,(H,28,29)
InChIKey OLOBDSYARVZDMN-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 15K71hnDEoo
Name L-Alanine, N-(3-fluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.314872376 u
Formula C26H42FNO3
InChI InChI=1S/C26H42FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(30)22(2)28-25(29)23-18-17-19-24(27)21-23/h17-19,21-22H,3-16,20H2,1-2H3,(H,28,29)
InChIKey OLOBDSYARVZDMN-UHFFFAOYSA-N
Molecular Weight 435.624 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)C)=O)F