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3-Phenoxybenzoic acid, tms
SpectraBase Compound ID qFXzhxoYxA
InChI InChI=1S/C16H18O3Si/c1-20(2,3)19-16(17)13-8-7-11-15(12-13)18-14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKey DEIGLAOIRYQDNU-UHFFFAOYSA-N
Mol Weight 286.4 g/mol
Molecular Formula C16H18O3Si
Exact Mass 286.102521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEpVph4UeI3
Name 3-Phenoxybenzoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 286.102520972 u
Formula C16H18O3Si
InChI InChI=1S/C16H18O3Si/c1-20(2,3)19-16(17)13-8-7-11-15(12-13)18-14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKey DEIGLAOIRYQDNU-UHFFFAOYSA-N
SMILES C(O[Si](C)(C)C)(=O)C1=CC(OC2=CC=CC=C2)=CC=C1