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4H,10H-[1]-BENZOTHIEPINO-[3,4-C]-ISOXAZOL-4-ONE
SpectraBase Compound ID 8rNzrWtV0xM
InChI InChI=1S/C12H9NO2S/c1-7-11-9(13-15-7)6-16-10-5-3-2-4-8(10)12(11)14/h2-5H,6H2,1H3
InChIKey DCZTZZAYFNMONB-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C12H9NO2S
Exact Mass 231.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GcqYe49CMl
Name 4H,10H-[1]-BENZOTHIEPINO-[3,4-C]-ISOXAZOL-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9NO2S
InChI InChI=1S/C12H9NO2S/c1-7-11-9(13-15-7)6-16-10-5-3-2-4-8(10)12(11)14/h2-5H,6H2,1H3
InChIKey DCZTZZAYFNMONB-UHFFFAOYSA-N
Literature Reference Author C.DESHAYES,M.CHABANNET,B.NAJIB,S.GELIN
Literature Reference Citation HETEROCYCLES,23,1651(1985)
Literature Reference DOI 10.3987/R-1985-07-1651
Molecular Weight 231.269 g/mol
Solvent ACETONE-D6
Source File Reference UWED11612