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[(1E,3E,5E,7E)-10,10-bis(methylsulfanyl)deca-1,3,5,7,9-pentaenyl]benzene
SpectraBase Compound ID DGRuVbl8hNG
InChI InChI=1S/C18H20S2/c1-19-18(20-2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17/h3-16H,1-2H3/b5-3+,6-4+,12-7+,13-9+
InChIKey WOPSLNJAIOKNTJ-BZTGUDFESA-N
Mol Weight 300.48 g/mol
Molecular Formula C18H20S2
Exact Mass 300.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQvNKLfwCMV
Name [(1E,3E,5E,7E)-10,10-bis(methylsulfanyl)deca-1,3,5,7,9-pentaenyl]benzene
Alternate Name(s) [(1E,3E,5E,7E)-10,10-bis(methylthio)deca-1,3,5,7,9-pentaenyl]benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20S2
InChI InChI=1S/C18H20S2/c1-19-18(20-2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17/h3-16H,1-2H3/b5-3+,6-4+,12-7+,13-9+
InChIKey WOPSLNJAIOKNTJ-BZTGUDFESA-N
Molecular Weight 300.478 g/mol
SMILES C(=C\C=C\C=C\C=C\C=C\c1ccccc1)(SC)SC
SPLASH splash10-0udi-0009000000-4a9d35baeaa6b6f0e7f5
Source of Spectrum F-50-262-12
Wiley ID 1303094