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(E)-1-(3-oxo-undecyl)-disulfanylundec-4-en-3-one
SpectraBase Compound ID 9s3PqluIfnr
InChI InChI=1S/C22H40O2S2/c1-3-5-7-9-11-13-15-21(23)17-19-25-26-20-18-22(24)16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-20H2,1-2H3/b15-13+
InChIKey PAQUAWJFPLKSOW-FYWRMAATSA-N
Mol Weight 400.7 g/mol
Molecular Formula C22H40O2S2
Exact Mass 400.246973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWhhDRrH0WK
Name (E)-1-(3-oxo-undecyl)-disulfanylundec-4-en-3-one
Appearance Yellowish oil
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Formula C22H40O2S2
InChI InChI=1S/C22H40O2S2/c1-3-5-7-9-11-13-15-21(23)17-19-25-26-20-18-22(24)16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-20H2,1-2H3/b15-13+
InChIKey PAQUAWJFPLKSOW-FYWRMAATSA-N
Instrument Name Thermo Electron Corporation DSQ
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b01031
Molecular Weight 400.680 g/mol
Reported Formula C22H40O2S2
SMILES C(CCCCCCC(CCSSCCC(\C=C\CCCCCC)=O)=O)C
SPLASH splash10-05n0-5900000000-93aa3ffd58fd7b8f6eb6
Source of Spectrum G4-79-588-4
Wiley ID 1849260