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3-iodo-2-(4-octyloxyphenylsulfanyl)benzo[b]selenophene
SpectraBase Compound ID DMjfIWecITl
InChI InChI=1S/C22H25IOSSe/c1-2-3-4-5-6-9-16-24-17-12-14-18(15-13-17)25-22-21(23)19-10-7-8-11-20(19)26-22/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey GVPCMSVKUSDEGE-UHFFFAOYSA-N
Mol Weight 543.38 g/mol
Molecular Formula C22H25IOSSe
Exact Mass 543.983604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt5BvpQeiSr
Name 3-iodo-2-(4-octyloxyphenylsulfanyl)benzo[b]selenophene
Appearance Yellow oil
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Formula C22H25IOSSe
InChI InChI=1S/C22H25IOSSe/c1-2-3-4-5-6-9-16-24-17-12-14-18(15-13-17)25-22-21(23)19-10-7-8-11-20(19)26-22/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey GVPCMSVKUSDEGE-UHFFFAOYSA-N
Instrument Name GC-MS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001586
Molecular Weight 543.377 g/mol
Reported Formula C22H25IOSSe
SMILES c1(I)c2c([se]c1Sc1ccc(cc1)OCCCCCCCC)cccc2
SPLASH splash10-0006-0000090000-db4bd974213e7aa66ef3
Source of Spectrum ASC-363-SM8-5d
Wiley ID 1848114