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1,2-Bis(5-chloro-2-methylthiophen-3-yl)acenaphthylene
SpectraBase Compound ID FHthXrcL1nd
InChI InChI=1S/C22H14Cl2S2/c1-11-16(9-18(23)25-11)21-14-7-3-5-13-6-4-8-15(20(13)14)22(21)17-10-19(24)26-12(17)2/h3-10H,1-2H3
InChIKey ROTMEBITTPJNQJ-UHFFFAOYSA-N
Mol Weight 413.38 g/mol
Molecular Formula C22H14Cl2S2
Exact Mass 411.991398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ3ugM6zJFD
Name 1,2-Bis(5-chloro-2-methylthiophen-3-yl)acenaphthylene
Appearance Orange foam
Carrier Gas Helium (0.9 mL/min)
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Exact Mass 411.991398199 u
Formula C22H14Cl2S2
GC Column HP-1 (12 m, film thickness 0.2 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C22H14Cl2S2/c1-11-16(9-18(23)25-11)21-14-7-3-5-13-6-4-8-15(20(13)14)22(21)17-10-19(24)26-12(17)2/h3-10H,1-2H3
InChIKey ROTMEBITTPJNQJ-UHFFFAOYSA-N
Instrument Name HP-5890 series II/HP-5971A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602912
Molecular Weight 413.380 g/mol
Quality 153
Reported Formula C22H14Cl2S2
SMILES C1=CC2=C3C(=C1)C(=C(C3=CC=C2)C=1C=C(SC1C)Cl)C1=C(SC(=C1)Cl)C
SPLASH splash10-03di-0218900000-c777790d473fd161761c
Source of Spectrum QE-22-SM6-15 (DOI: 10.1002/chem.201602912)
Thin-Layer Chromatography 0.80 (petroleum ether/EtOAc, 95:5)
Wiley ID 1905099