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4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid, tms derivative

View entire compound with spectra: 1 NMR

4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid, tms derivative
SpectraBase Compound ID LAA73c3xerm
InChI InChI=1S/C18H21BrO4Si/c1-21-17-11-14(18(20)23-24(2,3)4)7-10-16(17)22-12-13-5-8-15(19)9-6-13/h5-11H,12H2,1-4H3
InChIKey IINNYWRUSWYVGG-UHFFFAOYSA-N
Mol Weight 409.35 g/mol
Molecular Formula C18H21BrO4Si
Exact Mass 408.039249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8llVVgGfkMk
Name 4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 408.039248687 u
Formula C18H21BrO4Si
InChI InChI=1S/C18H21BrO4Si/c1-21-17-11-14(18(20)23-24(2,3)4)7-10-16(17)22-12-13-5-8-15(19)9-6-13/h5-11H,12H2,1-4H3
InChIKey IINNYWRUSWYVGG-UHFFFAOYSA-N
Molecular Weight 409.351 g/mol
SMILES C1(Br)=CC=C(C=C1)COC1=C(C=C(C=C1)C(=O)O[Si](C)(C)C)OC