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(S)-1-Acetoxyethyl (S)-2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoate
SpectraBase Compound ID 6XaVUhCr6Ir
InChI InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14-/m0/s1
InChIKey ALIVXCSEERJYHU-JSGCOSHPSA-N
Mol Weight 330.36 g/mol
Molecular Formula C19H19FO4
Exact Mass 330.126737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yKCF5AqOmB
Name (S)-1-Acetoxyethyl (S)-2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 330.126737251 u
Formula C19H19FO4
InChI InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14-/m0/s1
InChIKey ALIVXCSEERJYHU-JSGCOSHPSA-N
Molecular Weight 330.355 g/mol
SMILES C[C@@](OC(C)=O)(OC(=O)[C@@](C)(C1=CC(F)=C(C=C1)C1=CC=CC=C1)[H])[H]