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Tert.-butyl-[2R,3S,(4Z)]-2-amino-4-fluoro-3-hydroxyoctadec-4-enoate

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Tert.-butyl-[2R,3S,(4Z)]-2-amino-4-fluoro-3-hydroxyoctadec-4-enoate
SpectraBase Compound ID HJAelKnysrE
InChI InChI=1S/C22H42FNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)20(25)19(24)21(26)27-22(2,3)4/h17,19-20,25H,5-16,24H2,1-4H3/b18-17-/t19-,20-/m1/s1
InChIKey DBFONWNPQQQKLQ-LQXZYSQQSA-N
Mol Weight 387.6 g/mol
Molecular Formula C22H42FNO3
Exact Mass 387.314872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6drHqb4Xxr
Name Tert.-butyl-[2R,3S,(4Z)]-2-amino-4-fluoro-3-hydroxyoctadec-4-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.314872376 u
Formula C22H42FNO3
InChI InChI=1S/C22H42FNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)20(25)19(24)21(26)27-22(2,3)4/h17,19-20,25H,5-16,24H2,1-4H3/b18-17-/t19-,20-/m1/s1
InChIKey DBFONWNPQQQKLQ-LQXZYSQQSA-N
Molecular Weight 387.580 g/mol
SMILES C(\C=C\(F)[C@@](O)([C@@](N)(C(=O)OC(C)(C)C)[H])[H])CCCCCCCCCCCC