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2,3-Bis(pentylsulfanyl)-1,4-naphthoquinone
SpectraBase Compound ID 8Zqu0ZSaINs
InChI InChI=1S/C20H26O2S2/c1-3-5-9-13-23-19-17(21)15-11-7-8-12-16(15)18(22)20(19)24-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey JDTJECNFDDRVDZ-UHFFFAOYSA-N
Mol Weight 362.55 g/mol
Molecular Formula C20H26O2S2
Exact Mass 362.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DFXPFKxSHm
Name 2,3-Bis(pentylsulfanyl)-1,4-naphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C20H26O2S2
InChI InChI=1S/C20H26O2S2/c1-3-5-9-13-23-19-17(21)15-11-7-8-12-16(15)18(22)20(19)24-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey JDTJECNFDDRVDZ-UHFFFAOYSA-N
Molecular Weight 362.546 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)SCCCCC)SCCCCC
SPLASH splash10-03di-0009000000-8daaf1e9293d851a01e5
Source of Spectrum O1-46-214-7d
Wiley ID 1669202