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[4-(3-bromo-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)-5-methyl-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate

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[4-(3-bromo-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)-5-methyl-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate
SpectraBase Compound ID LeuKtXw76HP
InChI InChI=1S/C16H14BrNO3S2.H2O4S/c1-7-9-5-10(14-8(2)22-16(23-14)18(3)4)11(19)6-12(9)21-15(20)13(7)17;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey HATRNWVECIPQMG-UHFFFAOYSA-N
Mol Weight 510.39 g/mol
Molecular Formula C16H16BrNO7S3
Exact Mass 508.927228 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6B7hlCRml5M
Name [4-(3-bromo-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)-5-methyl-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate
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Formula C16H16BrNO7S3
InChI InChI=1S/C16H14BrNO3S2.H2O4S/c1-7-9-5-10(14-8(2)22-16(23-14)18(3)4)11(19)6-12(9)21-15(20)13(7)17;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey HATRNWVECIPQMG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 47315M
Solvent DMSO-d6