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3-(2-THIENYL)-5,6-DIHYDRO-7H-1,4,2-OXATHIAZEPIN-7-ONE

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3-(2-THIENYL)-5,6-DIHYDRO-7H-1,4,2-OXATHIAZEPIN-7-ONE
SpectraBase Compound ID 4qxwDsxwPIr
InChI InChI=1S/C8H7NO2S2/c10-7-3-5-13-8(9-11-7)6-2-1-4-12-6/h1-2,4H,3,5H2
InChIKey ZSFAKYSGWZLYHY-UHFFFAOYSA-N
Mol Weight 213.27 g/mol
Molecular Formula C8H7NO2S2
Exact Mass 212.991821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54kltsKOVHw
Name 3-(2-THIENYL)-5,6-DIHYDRO-7H-1,4,2-OXATHIAZEPIN-7-ONE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO2S2
InChI InChI=1S/C8H7NO2S2/c10-7-3-5-13-8(9-11-7)6-2-1-4-12-6/h1-2,4H,3,5H2
InChIKey ZSFAKYSGWZLYHY-UHFFFAOYSA-N
Literature Reference Author W.JOHNSON,S.LITTLER,C.SKENE
Literature Reference Citation HETEROCYCLES,36,1471(1993)
Literature Reference DOI 10.3987/COM-93-6361
Molecular Weight 213.269 g/mol
Solvent CDCl3
Source File Reference UWCP7685