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N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide
SpectraBase Compound ID C4veA1lR3P6
InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey PKYOHQGXPPVIGD-HNNXBMFYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDtk5jaB51Q
Name N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide
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Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey PKYOHQGXPPVIGD-HNNXBMFYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 43125M
Solvent Polysol-d