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4-methoxybenzenecarbothioic acid S-octyl ester
SpectraBase Compound ID 3xQqXY1Qyy6
InChI InChI=1S/C16H24O2S/c1-3-4-5-6-7-8-13-19-16(17)14-9-11-15(18-2)12-10-14/h9-12H,3-8,13H2,1-2H3
InChIKey WXEYNKBHAVYZKR-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86Ms0LV9BJb
Name 4-methoxybenzenecarbothioic acid S-octyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-3-4-5-6-7-8-13-19-16(17)14-9-11-15(18-2)12-10-14/h9-12H,3-8,13H2,1-2H3
InChIKey WXEYNKBHAVYZKR-UHFFFAOYSA-N
Molecular Weight 280.426 g/mol
SMILES C(c1ccc(cc1)OC)(=O)SCCCCCCCC
SPLASH splash10-000i-0900000000-c831d24eb848aff876aa
Source of Spectrum F-70-3146-10
Synonyms 4-methoxythiobenzoic acid S-octyl ester S-octyl 4-methoxybenzenecarbothioate
Wiley ID 1596673