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2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid, tms derivative
SpectraBase Compound ID CIpIeX1hK7k
InChI InChI=1S/C20H19NO5Si/c1-27(2,3)26-20(24)14-9-5-6-10-16(14)21-18(22)15-12-13-8-4-7-11-17(13)25-19(15)23/h4-12H,1-3H3,(H,21,22)
InChIKey MCWHVEJPRKPIQB-UHFFFAOYSA-N
Mol Weight 381.46 g/mol
Molecular Formula C20H19NO5Si
Exact Mass 381.103249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51VZa2ea3Px
Name 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 381.103249246 u
Formula C20H19NO5Si
InChI InChI=1S/C20H19NO5Si/c1-27(2,3)26-20(24)14-9-5-6-10-16(14)21-18(22)15-12-13-8-4-7-11-17(13)25-19(15)23/h4-12H,1-3H3,(H,21,22)
InChIKey MCWHVEJPRKPIQB-UHFFFAOYSA-N
Molecular Weight 381.459 g/mol
SMILES C1(NC(=O)C2=CC3=C(C=CC=C3)OC2=O)=C(C=CC=C1)C(=O)O[Si](C)(C)C