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5,7-Diethyl-1,2,3,4,6-pentathiepane
SpectraBase Compound ID BiIBHONvMeE
InChI InChI=1S/C6H12S5/c1-3-5-7-6(4-2)9-11-10-8-5/h5-6H,3-4H2,1-2H3
InChIKey IVFDVOATXVTNHJ-UHFFFAOYSA-N
Mol Weight 244.5 g/mol
Molecular Formula C6H12S5
Exact Mass 243.954256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Khu3lopbz2b
Name 5,7-Diethyl-1,2,3,4,6-pentathiepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12S5
InChI InChI=1S/C6H12S5/c1-3-5-7-6(4-2)9-11-10-8-5/h5-6H,3-4H2,1-2H3
InChIKey IVFDVOATXVTNHJ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4189
Molecular Weight 244.462 g/mol
SMILES C1(SSSSC(S1)CC)CC
SPLASH splash10-05fv-9200000000-9aa7c0be0e93d8438cfb
Sample Comments Isomer II
Source of Spectrum SFA-91-327-Table 1-Entry 83
Wiley ID 1838651