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2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

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2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)
SpectraBase Compound ID 9Xiiao41opO
InChI InChI=1S/C10H12O2S/c1-13-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
InChIKey CUYRRUCBYVBKAW-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZseO6m4x77
Name 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-13-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
InChIKey CUYRRUCBYVBKAW-UHFFFAOYSA-N
Literature Reference Author P.DIONNE,M.ST-JACQUES
Literature Reference Citation CAN.J.CHEM.,68,513(1990)
Literature Reference DOI 10.1139/v90-079
Molecular Weight 196.264 g/mol
Solvent CHClF2
Source File Reference UWED9606