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(1-methylsulfanyl-2-naphthyl) trifluoromethanesulfonate
SpectraBase Compound ID 1NVPZwUE6P6
InChI InChI=1S/C12H9F3O3S2/c1-19-11-9-5-3-2-4-8(9)6-7-10(11)18-20(16,17)12(13,14)15/h2-7H,1H3
InChIKey XRFQSWSGOUVNKV-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C12H9F3O3S2
Exact Mass 321.994521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Dlsiqi8LMg
Name (1-methylsulfanyl-2-naphthyl) trifluoromethanesulfonate
Appearance White solid
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Exact Mass 321.994520984 u
Formula C12H9F3O3S2
InChI InChI=1S/C12H9F3O3S2/c1-19-11-9-5-3-2-4-8(9)6-7-10(11)18-20(16,17)12(13,14)15/h2-7H,1H3
InChIKey XRFQSWSGOUVNKV-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/advs.202105674
Molecular Weight 322.316 g/mol
Quality 842
Reported Formula C12H9F3O3S2
SMILES C1(SC)=C(C=CC2=CC=CC=C12)OS(C(F)(F)F)(=O)=O
SPLASH splash10-00y1-2900000000-44eadab74d3f1af8b2eb
Source of Spectrum ADS-9-SM17-8 (DOI: 10.1002/advs.202105674)
Thin-Layer Chromatography 0.29 (Petroleum Ether/DCM, 9:1)
Wiley ID 1892801