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2-(4-(Dibutylamino)-2-hydroxybenzoyl)benzoic acid, tms
SpectraBase Compound ID HfdQ3ZNrkV5
InChI InChI=1S/C25H35NO4Si/c1-6-8-16-26(17-9-7-2)19-14-15-22(23(27)18-19)24(28)20-12-10-11-13-21(20)25(29)30-31(3,4)5/h10-15,18,27H,6-9,16-17H2,1-5H3
InChIKey QCPZFNCPFPFKSG-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C25H35NO4Si
Exact Mass 441.233535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qlqKHRJwbi
Name 2-(4-(Dibutylamino)-2-hydroxybenzoyl)benzoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 441.233535142 u
Formula C25H35NO4Si
InChI InChI=1S/C25H35NO4Si/c1-6-8-16-26(17-9-7-2)19-14-15-22(23(27)18-19)24(28)20-12-10-11-13-21(20)25(29)30-31(3,4)5/h10-15,18,27H,6-9,16-17H2,1-5H3
InChIKey QCPZFNCPFPFKSG-UHFFFAOYSA-N
Molecular Weight 441.643 g/mol
SMILES CCCCN(CCCC)C1=CC(O)=C(C=C1)C(=O)C1=C(C=CC=C1)C(O[Si](C)(C)C)=O