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7-(2,3-Dimethoxy-benzyl)-5-methylsulfanyl-5,7,8,9-tetrahydro-1,3-dioxa-7-aza-cyclohepta[f]inden-6-one
SpectraBase Compound ID 2PAOBvBklWV
InChI InChI=1S/C21H23NO5S/c1-24-16-6-4-5-14(19(16)25-2)11-22-8-7-13-9-17-18(27-12-26-17)10-15(13)20(28-3)21(22)23/h4-6,9-10,20H,7-8,11-12H2,1-3H3
InChIKey AYSXSAKBVFWBDW-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXZFawMkrum
Name 7-(2,3-Dimethoxy-benzyl)-5-methylsulfanyl-5,7,8,9-tetrahydro-1,3-dioxa-7-aza-cyclohepta[f]inden-6-one
Alternate Name(s) 3-(2,3-Dimethoxybenzyl)-7,8-methylenedioxy-1-(methylthio)-1,2,4,5-tetrahydrobenzazepin-2-one 7-(2,3-dimethoxybenzyl)-5-(methylsulfanyl)-5,7,8,9-tetrahydro-6H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one 7-[(2,3-dimethoxyphenyl)methyl]-5-(methylthio)-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one 7-[(2,3-dimethoxyphenyl)methyl]-5-methylsulfanyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one
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Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-24-16-6-4-5-14(19(16)25-2)11-22-8-7-13-9-17-18(27-12-26-17)10-15(13)20(28-3)21(22)23/h4-6,9-10,20H,7-8,11-12H2,1-3H3
InChIKey AYSXSAKBVFWBDW-UHFFFAOYSA-N
Molecular Weight 401.477 g/mol
SMILES C1(N(Cc2c(c(OC)ccc2)OC)CCc2c(C1SC)cc1c(OCO1)c2)=O
SPLASH splash10-0udi-0809100000-bbf84ea5376679dc95e3
Source of Spectrum E2-48-402-8
Wiley ID 1555085