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4-[(2,4-Dichlorobenzoyl)amino]benzoic acid, tms derivative
SpectraBase Compound ID LXMEnARkeSa
InChI InChI=1S/C17H17Cl2NO3Si/c1-24(2,3)23-17(22)11-4-7-13(8-5-11)20-16(21)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3,(H,20,21)
InChIKey KBWMTJUHIARYMO-UHFFFAOYSA-N
Mol Weight 382.32 g/mol
Molecular Formula C17H17Cl2NO3Si
Exact Mass 381.035475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vQgWRxZr1x
Name 4-[(2,4-Dichlorobenzoyl)amino]benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 381.035475343 u
Formula C17H17Cl2NO3Si
InChI InChI=1S/C17H17Cl2NO3Si/c1-24(2,3)23-17(22)11-4-7-13(8-5-11)20-16(21)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3,(H,20,21)
InChIKey KBWMTJUHIARYMO-UHFFFAOYSA-N
Molecular Weight 382.318 g/mol
SMILES C1(Cl)=C(C=CC(=C1)Cl)C(=O)NC1=CC=C(C=C1)C(=O)O[Si](C)(C)C