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N-(2-hydroxyethyl)phthalimide, p-toluenesulfonate (ester)
SpectraBase Compound ID 7KrZBHUs2ve
InChI InChI=1S/C17H15NO5S/c1-12-6-8-13(9-7-12)24(21,22)23-11-10-18-16(19)14-4-2-3-5-15(14)17(18)20/h2-9H,10-11H2,1H3
InChIKey OMQKERNQORAPNJ-UHFFFAOYSA-N
Mol Weight 345.37 g/mol
Molecular Formula C17H15NO5S
Exact Mass 345.067094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jp7SkRLr2O
Name N-(2-Hydroxyethyl)phthalimide, p-toluenesulfonate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 345.067093756 u
Formula C17H15NO5S
InChI InChI=1S/C17H15NO5S/c1-12-6-8-13(9-7-12)24(21,22)23-11-10-18-16(19)14-4-2-3-5-15(14)17(18)20/h2-9H,10-11H2,1H3
InChIKey OMQKERNQORAPNJ-UHFFFAOYSA-N
Molecular Weight 345.369 g/mol
SMILES C=1C(=CC=C(C1)S(=O)(=O)OCCN1C(C=2C=CC=CC2C1=O)=O)C