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cis/trans-4,7-Diethyl-1,2,3,5,6-pentathiepane
SpectraBase Compound ID H2BIsBxwUMW
InChI InChI=1S/C6H12S5/c1-3-5-7-8-6(4-2)10-11-9-5/h5-6H,3-4H2,1-2H3
InChIKey XOMXUEDCMMCZIK-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 Bpb1SIgB6eq
Name cis/trans-4,7-Diethyl-1,2,3,5,6-pentathiepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12S5
InChI InChI=1S/C6H12S5/c1-3-5-7-8-6(4-2)10-11-9-5/h5-6H,3-4H2,1-2H3
InChIKey XOMXUEDCMMCZIK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200890097
Molecular Weight 244.462 g/mol
SMILES C1(SSSC(SS1)CC)CC
SPLASH splash10-05fr-6900000000-fcff03519903c14178da
Source of Spectrum CBD-5-1211-trans/cis_8
Synonyms 4,7-Diethyl-1,2,3,5,6-pentathiepane
Wiley ID 1788782