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2-CYANO-2-METHYL-4H-1,3-BENZOXATHIINE

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2-CYANO-2-METHYL-4H-1,3-BENZOXATHIINE
SpectraBase Compound ID twOr8REIUt
InChI InChI=1S/C10H9NOS/c1-10(7-11)12-6-8-4-2-3-5-9(8)13-10/h2-5H,6H2,1H3
InChIKey SFINPRUEBMTUQW-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C10H9NOS
Exact Mass 191.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8fDMEMKzR0
Name 2-CYANO-2-METHYL-4H-1,3-BENZOXATHIINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9NOS
InChI InChI=1S/C10H9NOS/c1-10(7-11)12-6-8-4-2-3-5-9(8)13-10/h2-5H,6H2,1H3
InChIKey SFINPRUEBMTUQW-UHFFFAOYSA-N
Literature Reference Author M.SCHMIDT,H.MEIER,S.A.SALEH
Literature Reference Citation J.HETCYCL.CHEM.,28,573(1991)
Literature Reference DOI 10.1002/jhet.5570280306
Molecular Weight 191.248 g/mol
Solvent CDCl3
Source File Reference UWCS18597