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hexahydro-2H-azepine-2-thione

View entire compound with spectra: 9 NMR, 2 FTIR, and 4 MS (GC)

hexahydro-2H-azepine-2-thione
SpectraBase Compound ID 4lNVDYJJQ8w
InChI InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey APLHDUWNMGJBFD-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERO8KCVbcl2
Name 1-AZA-2-CYCLOHEPTANETHIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey APLHDUWNMGJBFD-UHFFFAOYSA-N
Literature Reference Author I.YAVARI,J.D.ROBERTS
Literature Reference Citation TETRAH.LETT.,19,2491(1978)
Literature Reference DOI 10.1016/S0040-4039(01)94808-7
Solvent DMSO;C=1.33M;NAOH=0.111M
Source File Reference UWED16244