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4-(4-(tert-Butyl)phenyl)thieno[3,2-f]isoquinoline
SpectraBase Compound ID 2bwAONf3hJY
InChI InChI=1S/C21H19NS/c1-21(2,3)16-6-4-14(5-7-16)19-12-15-13-22-10-8-17(15)18-9-11-23-20(18)19/h4-13H,1-3H3
InChIKey WWJYBSGCPUBVFW-UHFFFAOYSA-N
Mol Weight 317.45 g/mol
Molecular Formula C21H19NS
Exact Mass 317.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3loR6i1gxt
Name 4-(4-(tert-Butyl)phenyl)thieno[3,2-f]isoquinoline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 317.123820790 u
Formula C21H19NS
InChI InChI=1S/C21H19NS/c1-21(2,3)16-6-4-14(5-7-16)19-12-15-13-22-10-8-17(15)18-9-11-23-20(18)19/h4-13H,1-3H3
InChIKey WWJYBSGCPUBVFW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 317.450 g/mol
Quality 352
Reported Formula C21H19NS
SMILES C1(=CC=C(C=C1)C(C)(C)C)C=1C2=C(C3=C(C1)C=NC=C3)C=CS2
SPLASH splash10-0uxr-0029000000-5e141ac9ec3bcda7766e
Source of Spectrum K1-2022-SM23-3e (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.25 (Heptane/EtOAc, 2:1)
Wiley ID 1899037