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o-Benzyl-D-serine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

o-Benzyl-D-serine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID FJmOrmY5f8w
InChI InChI=1S/C15H14F7NO4/c16-12(17)14(18,19)8-27-11(24)10(23-13(25)15(20,21)22)7-26-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,23,25)
InChIKey PQTKGXGNDQVGMY-UHFFFAOYSA-N
Mol Weight 405.27 g/mol
Molecular Formula C15H14F7NO4
Exact Mass 405.081105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1APfEXRmbUL
Name o-Benzyl-D-serine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.081105072 u
Formula C15H14F7NO4
InChI InChI=1S/C15H14F7NO4/c16-12(17)14(18,19)8-27-11(24)10(23-13(25)15(20,21)22)7-26-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,23,25)
InChIKey PQTKGXGNDQVGMY-UHFFFAOYSA-N
Molecular Weight 405.269 g/mol
SMILES C1=C(C=CC=C1)COCC(C(=O)OCC(C(F)F)(F)F)NC(C(F)(F)F)=O