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2-[(3-Bromobenzoyl)amino]-4,5-dimethoxybenzoic acid, 1tms derivative

View entire compound with spectra: 1 NMR

2-[(3-Bromobenzoyl)amino]-4,5-dimethoxybenzoic acid, 1tms derivative
SpectraBase Compound ID 7wk24L1I7l1
InChI InChI=1S/C19H22BrNO5Si/c1-24-16-10-14(19(23)26-27(3,4)5)15(11-17(16)25-2)21-18(22)12-7-6-8-13(20)9-12/h6-11H,1-5H3,(H,21,22)
InChIKey QQIUYTGRISYUKM-UHFFFAOYSA-N
Mol Weight 452.38 g/mol
Molecular Formula C19H22BrNO5Si
Exact Mass 451.045062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOLtrstCjPK
Name 2-[(3-Bromobenzoyl)amino]-4,5-dimethoxybenzoic acid, 1tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 451.045062342 u
Formula C19H22BrNO5Si
InChI InChI=1S/C19H22BrNO5Si/c1-24-16-10-14(19(23)26-27(3,4)5)15(11-17(16)25-2)21-18(22)12-7-6-8-13(20)9-12/h6-11H,1-5H3,(H,21,22)
InChIKey QQIUYTGRISYUKM-UHFFFAOYSA-N
Molecular Weight 452.376 g/mol
SMILES C1(Br)=CC(=CC=C1)C(=O)NC1=C(C=C(C(=C1)OC)OC)C(=O)O[Si](C)(C)C