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D-Allylglycine, N-pentafluoropropionyl-, octyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, octyl ester
SpectraBase Compound ID AU7wUbdzpHv
InChI InChI=1S/C16H24F5NO3/c1-3-5-6-7-8-9-11-25-13(23)12(10-4-2)22-14(24)15(17,18)16(19,20)21/h4,12H,2-3,5-11H2,1H3,(H,22,24)
InChIKey ILMFMTZCVJTGQR-UHFFFAOYSA-N
Mol Weight 373.36 g/mol
Molecular Formula C16H24F5NO3
Exact Mass 373.167634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhHDFJNh9pd
Name D-Allylglycine, N-pentafluoropropionyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.167634449 u
Formula C16H24F5NO3
InChI InChI=1S/C16H24F5NO3/c1-3-5-6-7-8-9-11-25-13(23)12(10-4-2)22-14(24)15(17,18)16(19,20)21/h4,12H,2-3,5-11H2,1H3,(H,22,24)
InChIKey ILMFMTZCVJTGQR-UHFFFAOYSA-N
Molecular Weight 373.364 g/mol
SMILES C(C(=O)NC(C(OCCCCCCCC)=O)CC=C)(C(F)(F)F)(F)F