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3,6-bis((E)-2-(Thiophen-2-yl)vinyl)phenanthrene
SpectraBase Compound ID Bo5KJeqhLVw
InChI InChI=1S/C26H18S2/c1-3-23(27-15-1)13-7-19-5-9-21-11-12-22-10-6-20(18-26(22)25(21)17-19)8-14-24-4-2-16-28-24/h1-18H/b13-7+,14-8+
InChIKey IXZZVWCFNXMUCO-FNCQTZNRSA-N
Mol Weight 394.55 g/mol
Molecular Formula C26H18S2
Exact Mass 394.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rzTf9LWZiv
Name 3,6-bis((E)-2-(Thiophen-2-yl)vinyl)phenanthrene
Appearance Yellow solid
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Formula C26H18S2
InChI InChI=1S/C26H18S2/c1-3-23(27-15-1)13-7-19-5-9-21-11-12-22-10-6-20(18-26(22)25(21)17-19)8-14-24-4-2-16-28-24/h1-18H/b13-7+,14-8+
InChIKey IXZZVWCFNXMUCO-FNCQTZNRSA-N
Instrument Name AGILENT 5973N-6890N GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00147
Molecular Weight 394.550 g/mol
Reported Formula C26H18S2
SMILES c1(ccc2c(c1)c1c(cc2)ccc(c1)\C=C\c1cccs1)\C=C\c1sccc1
SPLASH splash10-0005-0109000000-a94ec94a563d9006ef33
Source of Spectrum JOC-86-5677-7
Thin-Layer Chromatography Rf = 0.55 (hexane/EtOAc, 9:1)
Wiley ID 1870202