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3-(Phenoxymethyl)benzoic acid, tms
SpectraBase Compound ID 2GdaUEVr70F
InChI InChI=1S/C17H20O3Si/c1-21(2,3)20-17(18)15-9-7-8-14(12-15)13-19-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3
InChIKey UXDCEYJWLJRUPM-UHFFFAOYSA-N
Mol Weight 300.43 g/mol
Molecular Formula C17H20O3Si
Exact Mass 300.118171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCmkEjrRlW1
Name 3-(Phenoxymethyl)benzoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 300.118171036 u
Formula C17H20O3Si
InChI InChI=1S/C17H20O3Si/c1-21(2,3)20-17(18)15-9-7-8-14(12-15)13-19-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3
InChIKey UXDCEYJWLJRUPM-UHFFFAOYSA-N
Molecular Weight 300.429 g/mol
SMILES C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)O[Si](C)(C)C