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4-(p-Toluenesulfonyloxy)coumarin
SpectraBase Compound ID IgBZYmaU2HW
InChI InChI=1S/C16H12O5S/c1-11-6-8-12(9-7-11)22(18,19)21-15-10-16(17)20-14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey AGSIRLLERPDOJX-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C16H12O5S
Exact Mass 316.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaqL3VuMviF
Name 4-(p-Toluenesulfonyloxy)coumarin
Alternate Name(s) 4-Methylbenzenesulfonic acid (2-oxo-1-benzopyran-4-yl) ester (2-oxochromen-4-yl) 4-methylbenzenesulfonate (2-oxidanylidenechromen-4-yl) 4-methylbenzenesulfonate
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Formula C16H12O5S
InChI InChI=1S/C16H12O5S/c1-11-6-8-12(9-7-11)22(18,19)21-15-10-16(17)20-14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey AGSIRLLERPDOJX-UHFFFAOYSA-N
Molecular Weight 316.327 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)=CC(=O)Oc2c1cccc2
SPLASH splash10-0pb9-3952000000-6a0afdf4aca74b0fb270
Source of Spectrum U1-2009-2256-37
Wiley ID 1662815