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2-THIOBENZYL-6,7-DIMETHOXY-4H-3,1-BENZOXAZIN-4-ONE
SpectraBase Compound ID 1iYWs2Xp0zs
InChI InChI=1S/C17H15NO4S/c1-20-14-8-12-13(9-15(14)21-2)18-17(22-16(12)19)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey NZCOLJQFXINCSG-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C17H15NO4S
Exact Mass 329.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nsOXUkofvy
Name 2-THIOBENZYL-6,7-DIMETHOXY-4H-3,1-BENZOXAZIN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15NO4S
InChI InChI=1S/C17H15NO4S/c1-20-14-8-12-13(9-15(14)21-2)18-17(22-16(12)19)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey NZCOLJQFXINCSG-UHFFFAOYSA-N
Literature Reference Author V.J.ROBINSON,R.W.SPENCER
Literature Reference Citation CAN.J.CHEM.,66,416(1988)
Literature Reference DOI 10.1139/v88-073
Molecular Weight 329.370 g/mol
Solvent DMSO-D6
Source File Reference UWED2414