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2,5-Dichlorobenzyl alcohol, pentafluoropropionate
SpectraBase Compound ID 1vSeGAGjJ4P
InChI InChI=1S/C10H5Cl2F5O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKey JLDDEOFRFGXBTC-UHFFFAOYSA-N
Mol Weight 323.05 g/mol
Molecular Formula C10H5Cl2F5O2
Exact Mass 321.958676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2czotwHQku9
Name 2,5-Dichlorobenzyl alcohol, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 321.958675614 u
Formula C10H5Cl2F5O2
InChI InChI=1S/C10H5Cl2F5O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKey JLDDEOFRFGXBTC-UHFFFAOYSA-N
Molecular Weight 323.046 g/mol
SMILES C1(=C(C=CC(=C1)Cl)Cl)COC(C(C(F)(F)F)(F)F)=O