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5,6,7,8,9-Pentathiabenzocycloheptene
SpectraBase Compound ID 3ai6IYh613w
InChI InChI=1S/C6H4S5/c1-2-4-6-5(3-1)7-9-11-10-8-6/h1-4H
InChIKey MZPMZGVDRSKLAJ-UHFFFAOYSA-N
Mol Weight 236.4 g/mol
Molecular Formula C6H4S5
Exact Mass 235.891656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 751g4filLZr
Name 5,6,7,8,9-PENTATHIABENZOCYCLOHEPTENE;REF_5
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H4S5
InChI InChI=1S/C6H4S5/c1-2-4-6-5(3-1)7-9-11-10-8-6/h1-4H
InChIKey MZPMZGVDRSKLAJ-UHFFFAOYSA-N
Literature Reference Author D.AEBISHER,E.M.BRZOSTOWSKA,N.SAWWAN,R.OVALLE,A.GREER
Literature Reference Citation J.NAT.PROD.,70,1492(2007)
Literature Reference DOI 10.1021/np070108t
Molecular Weight 236.398 g/mol
Sample ID 31568
Solvent Unknown