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(4-(Methylthio)phenyl)(4-octylthiophen-2-yl)methanone
SpectraBase Compound ID BDzQCUawufc
InChI InChI=1S/C20H26OS2/c1-3-4-5-6-7-8-9-16-14-19(23-15-16)20(21)17-10-12-18(22-2)13-11-17/h10-15H,3-9H2,1-2H3
InChIKey PUSJEPQXGMIYPJ-UHFFFAOYSA-N
Mol Weight 346.55 g/mol
Molecular Formula C20H26OS2
Exact Mass 346.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbAbxKLclsi
Name (4-(Methylthio)phenyl)(4-octylthiophen-2-yl)methanone
Appearance Yellow oil
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Exact Mass 346.142507804 u
Formula C20H26OS2
InChI InChI=1S/C20H26OS2/c1-3-4-5-6-7-8-9-16-14-19(23-15-16)20(21)17-10-12-18(22-2)13-11-17/h10-15H,3-9H2,1-2H3
InChIKey PUSJEPQXGMIYPJ-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102805
Molecular Weight 346.547 g/mol
Quality 28
Reported Formula C20H26OS2
SMILES CSC1=CC=C(C=C1)C(=O)C=1SC=C(C1)CCCCCCCC
SPLASH splash10-0udj-0941000000-593bea77e8760f7f0e63
Source of Spectrum QE-27-SM69-5f (DOI: 10.1002/chem.202102805)
Wiley ID 1902260