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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cOSRyXOzqN
Name 1,3,4,5,6,7-hexahydro-1-azepine-2-thione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.1021/jm1007648
Molecular Weight 129.221 g/mol
Reported Formula C6H11NS
SMILES N1C(CCCCC1)=S
SPLASH splash10-004i-4900000000-c8f0918076b8e27833f9
Source of Spectrum AF-53-SM2-43
Thin-Layer Chromatography Rf = 0.49 (CH2Cl2/ Et2O, 95:5)
Wiley ID 1848645