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2-(Hexadecylsulfanyl)-3-(ethylsulfanyl)-1,4-naphthoquinone
SpectraBase Compound ID EBtKEyojrKF
InChI InChI=1S/C28H42O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-26(30)24-21-18-17-20-23(24)25(29)27(28)31-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3
InChIKey IYOSBARIAZCYCT-UHFFFAOYSA-N
Mol Weight 474.8 g/mol
Molecular Formula C28H42O2S2
Exact Mass 474.262623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8MpxEV0z4v
Name 2-(Hexadecylsulfanyl)-3-(ethylsulfanyl)-1,4-naphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C28H42O2S2
InChI InChI=1S/C28H42O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-26(30)24-21-18-17-20-23(24)25(29)27(28)31-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3
InChIKey IYOSBARIAZCYCT-UHFFFAOYSA-N
Molecular Weight 474.762 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)SCC)SCCCCCCCCCCCCCCCC
SPLASH splash10-004i-0000900000-d921e39ac1b23e284c90
Source of Spectrum O1-46-213-6a
Wiley ID 1669209