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2-(Butylsulfanyl)-3-(hexadecylsulfanyl)-1,4-naphthoquinone
SpectraBase Compound ID 9ECYXVR1Lyl
InChI InChI=1S/C30H46O2S2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-34-30-28(32)26-22-19-18-21-25(26)27(31)29(30)33-23-6-4-2/h18-19,21-22H,3-17,20,23-24H2,1-2H3
InChIKey JCSORDOKPZVCHZ-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C30H46O2S2
Exact Mass 502.293923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Wm7pFNR0fb
Name 2-(Butylsulfanyl)-3-(hexadecylsulfanyl)-1,4-naphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C30H46O2S2
InChI InChI=1S/C30H46O2S2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-34-30-28(32)26-22-19-18-21-25(26)27(31)29(30)33-23-6-4-2/h18-19,21-22H,3-17,20,23-24H2,1-2H3
InChIKey JCSORDOKPZVCHZ-UHFFFAOYSA-N
Molecular Weight 502.816 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)SCCCCCCCCCCCCCCCC)SCCCC
SPLASH splash10-0udi-0000090000-5c426434ee373f9ccbee
Source of Spectrum O1-46-214-6e
Wiley ID 1669203