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5-(benzyl)-1,1-diketo-2-methyl-3,4-dihydrobenzo[f][1,2,5]thiadiazepine-3-carboxylic acid methyl ester
SpectraBase Compound ID 9F06FpzUiqJ
InChI InChI=1S/C18H20N2O4S/c1-19-16(18(21)24-2)13-20(12-14-8-4-3-5-9-14)15-10-6-7-11-17(15)25(19,22)23/h3-11,16H,12-13H2,1-2H3
InChIKey OPBARLMPIUDTIV-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C18H20N2O4S
Exact Mass 360.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkH2GiEQuxQ
Name 5-(benzyl)-1,1-diketo-2-methyl-3,4-dihydrobenzo[f][1,2,5]thiadiazepine-3-carboxylic acid methyl ester
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O4S
InChI InChI=1S/C18H20N2O4S/c1-19-16(18(21)24-2)13-20(12-14-8-4-3-5-9-14)15-10-6-7-11-17(15)25(19,22)23/h3-11,16H,12-13H2,1-2H3
InChIKey OPBARLMPIUDTIV-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 360.428 g/mol
Source File Reference MHKO9325