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2-(2,1,3-Benzothiadiazol-4-yl)benzo[b]thiophene
SpectraBase Compound ID 33lVPATKHHy
InChI InChI=1S/C14H8N2S2/c1-2-7-12-9(4-1)8-13(17-12)10-5-3-6-11-14(10)16-18-15-11/h1-8H
InChIKey ORALGIGFSUMPRE-UHFFFAOYSA-N
Mol Weight 268.35 g/mol
Molecular Formula C14H8N2S2
Exact Mass 268.012891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4D9uWnUa2y9
Name 2-(2,1,3-Benzothiadiazol-4-yl)benzo[b]thiophene
Appearance Red solid
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Exact Mass 268.012890614 u
Formula C14H8N2S2
InChI InChI=1S/C14H8N2S2/c1-2-7-12-9(4-1)8-13(17-12)10-5-3-6-11-14(10)16-18-15-11/h1-8H
InChIKey ORALGIGFSUMPRE-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712081
Quality 88
Reported Formula C14H8N2S2
SMILES C12=NSN=C2C=CC=C1C1=CC2=C(S1)C=CC=C2
SPLASH splash10-0udi-0980000000-63324e6b3ad384728452
Source of Spectrum ACI-57-SM8-3an (DOI: 10.1002/anie.201712081)
Thin-Layer Chromatography 0.50 (hexane/ethyl acetate,10:1)
Wiley ID 1891201