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6-Methyl-4-(p-toluenesulfonyloxy)coumarin

View entire compound with spectra: 1 MS (GC)

6-Methyl-4-(p-toluenesulfonyloxy)coumarin
SpectraBase Compound ID GL9UfggG7bI
InChI InChI=1S/C17H14O5S/c1-11-3-6-13(7-4-11)23(19,20)22-16-10-17(18)21-15-8-5-12(2)9-14(15)16/h3-10H,1-2H3
InChIKey FKZVKBFWGSNXDM-UHFFFAOYSA-N
Mol Weight 330.35 g/mol
Molecular Formula C17H14O5S
Exact Mass 330.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13AOXyaMhrz
Name 6-Methyl-4-(p-toluenesulfonyloxy)coumarin
Alternate Name(s) 4-Methylbenzenesulfonic acid (6-methyl-2-oxo-1-benzopyran-4-yl) ester (6-methyl-2-oxochromen-4-yl) 4-methylbenzenesulfonate (6-methyl-2-oxo-chromen-4-yl) 4-methylbenzenesulfonate (6-methyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate
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Formula C17H14O5S
InChI InChI=1S/C17H14O5S/c1-11-3-6-13(7-4-11)23(19,20)22-16-10-17(18)21-15-8-5-12(2)9-14(15)16/h3-10H,1-2H3
InChIKey FKZVKBFWGSNXDM-UHFFFAOYSA-N
Molecular Weight 330.354 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)=CC(=O)Oc2c1cc(cc2)C
SPLASH splash10-053u-5946000000-38cce4824f169efe48bb
Source of Spectrum U1-2009-2256-38
Wiley ID 1662814