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2-(3-Nitrophenyl)ethanol, dimethylpentafluorophenylsilyl ether
SpectraBase Compound ID DefhCq0wzS4
InChI InChI=1S/C16H14F5NO3Si/c1-26(2,16-14(20)12(18)11(17)13(19)15(16)21)25-7-6-9-4-3-5-10(8-9)22(23)24/h3-5,8H,6-7H2,1-2H3
InChIKey BGPDHBXXRBCQGT-UHFFFAOYSA-N
Mol Weight 391.37 g/mol
Molecular Formula C16H14F5NO3Si
Exact Mass 391.066311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A69nzMW8Udf
Name 2-(3-Nitrophenyl)ethanol, dimethylpentafluorophenylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 391.066310662 u
Formula C16H14F5NO3Si
InChI InChI=1S/C16H14F5NO3Si/c1-26(2,16-14(20)12(18)11(17)13(19)15(16)21)25-7-6-9-4-3-5-10(8-9)22(23)24/h3-5,8H,6-7H2,1-2H3
InChIKey BGPDHBXXRBCQGT-UHFFFAOYSA-N
Molecular Weight 391.369 g/mol
SMILES C1=CC=C(C=C1N(=O)=O)CCO[Si](C1=C(C(=C(F)C(=C1F)F)F)F)(C)C