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Aceclofenac, tms derivative

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Aceclofenac, tms derivative
SpectraBase Compound ID 7wPmHgKEYNp
InChI InChI=1S/C19H21Cl2NO4Si/c1-27(2,3)26-18(24)12-25-17(23)11-13-7-4-5-10-16(13)22-19-14(20)8-6-9-15(19)21/h4-10,22H,11-12H2,1-3H3
InChIKey BVFBQXXTIGNXJE-UHFFFAOYSA-N
Mol Weight 426.37 g/mol
Molecular Formula C19H21Cl2NO4Si
Exact Mass 425.06169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fLOYuBw5u8
Name Aceclofenac, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 425.061690091 u
Formula C19H21Cl2NO4Si
InChI InChI=1S/C19H21Cl2NO4Si/c1-27(2,3)26-18(24)12-25-17(23)11-13-7-4-5-10-16(13)22-19-14(20)8-6-9-15(19)21/h4-10,22H,11-12H2,1-3H3
InChIKey BVFBQXXTIGNXJE-UHFFFAOYSA-N
Molecular Weight 426.371 g/mol
SMILES C(COC(=O)CC1=C(C=CC=C1)NC1=C(C=CC=C1Cl)Cl)(=O)O[Si](C)(C)C