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Indole-3-propionic acid, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

Indole-3-propionic acid, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID Emd8tur5J3I
InChI InChI=1S/C16H12F7NO3/c17-13(18)15(19,20)8-27-12(25)6-5-9-7-24(14(26)16(21,22)23)11-4-2-1-3-10(9)11/h1-4,7,13H,5-6,8H2
InChIKey GSAXCVYRNKVWTK-UHFFFAOYSA-N
Mol Weight 399.26 g/mol
Molecular Formula C16H12F7NO3
Exact Mass 399.07054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1K3gwVhrHI
Name Indole-3-propionic acid, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.070540388 u
Formula C16H12F7NO3
InChI InChI=1S/C16H12F7NO3/c17-13(18)15(19,20)8-27-12(25)6-5-9-7-24(14(26)16(21,22)23)11-4-2-1-3-10(9)11/h1-4,7,13H,5-6,8H2
InChIKey GSAXCVYRNKVWTK-UHFFFAOYSA-N
Molecular Weight 399.265 g/mol
SMILES C12=C(C=CC=C2)N(C(C(F)(F)F)=O)C=C1CCC(=O)OCC(C(F)F)(F)F