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1-CYANO-1,2,4,5-TETRAHYDRO-3-BENZOTHIEPINE

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1-CYANO-1,2,4,5-TETRAHYDRO-3-BENZOTHIEPINE
SpectraBase Compound ID LFPMgbdU99i
InChI InChI=1S/C11H11NS/c12-7-10-8-13-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-6,8H2
InChIKey RPTONUAJFYZMLL-UHFFFAOYSA-N
Mol Weight 189.28 g/mol
Molecular Formula C11H11NS
Exact Mass 189.061221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClMLAhGRPhS
Name 1-CYANO-1,2,4,5-TETRAHYDRO-3-BENZOTHIEPINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NS
InChI InChI=1S/C11H11NS/c12-7-10-8-13-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-6,8H2
InChIKey RPTONUAJFYZMLL-UHFFFAOYSA-N
Literature Reference Author T.KATAOKA,M.KATAOKA,M.IKEMORI,H.SHIMIZU,M.HORI,I.MIURA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1973(1993)
Literature Reference DOI 10.1039/p19930001973
Molecular Weight 189.275 g/mol
Solvent CDCl3
Source File Reference UWCP1442