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6-ACETYL-5-METHOXY-2,2-DIMETHYL-7-TOSYLOXY-2H-CHROMENE
SpectraBase Compound ID L6C0bh0F3Jj
InChI InChI=1S/C21H22O6S/c1-13-6-8-15(9-7-13)28(23,24)27-18-12-17-16(10-11-21(3,4)26-17)20(25-5)19(18)14(2)22/h6-12H,1-5H3
InChIKey MVMMGUSPHASELD-UHFFFAOYSA-N
Mol Weight 402.46 g/mol
Molecular Formula C21H22O6S
Exact Mass 402.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZiSrNKJLSX
Name (6-acetyl-5-methoxy-2,2-dimethyl-chromen-7-yl) 4-methylbenzenesulfonate
Alternate Name(s) (6-ethanoyl-5-methoxy-2,2-dimethyl-chromen-7-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (6-acetyl-5-methoxy-2,2-dimethyl-1-benzopyran-7-yl) ester 4-Methylbenzenesulfonic acid (6-acetyl-5-methoxy-2,2-dimethyl-chromen-7-yl) ester
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Formula C21H22O6S
InChI InChI=1S/C21H22O6S/c1-13-6-8-15(9-7-13)28(23,24)27-18-12-17-16(10-11-21(3,4)26-17)20(25-5)19(18)14(2)22/h6-12H,1-5H3
InChIKey MVMMGUSPHASELD-UHFFFAOYSA-N
Molecular Weight 402.461 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(c(OC)c2c(c1)OC(C=C2)(C)C)C(=O)C
SPLASH splash10-000l-5029100000-f5d701dedabc0af4e812
Source of Spectrum KC-0-2533-20
Wiley ID 784492