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Dimethyl 3-phenylbenzylphosphonate
SpectraBase Compound ID CZ9wWI4uVcp
InChI InChI=1S/C15H17O3P/c1-17-19(16,18-2)12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKey PXAIVPLNBISQHP-UHFFFAOYSA-N
Mol Weight 276.27 g/mol
Molecular Formula C15H17O3P
Exact Mass 276.091531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kVYiWO5mc
Name Dimethyl 3-phenylbenzylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 276.091531402 u
Formula C15H17O3P
InChI InChI=1S/C15H17O3P/c1-17-19(16,18-2)12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKey PXAIVPLNBISQHP-UHFFFAOYSA-N
Molecular Weight 276.272 g/mol
SMILES C(P(=O)(OC)OC)C=1C=C(C=2C=CC=CC2)C=CC1