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6-(4-(tert-Butyl)phenyl)benzo[4,5]thieno[3,2-f]isoquinoline
SpectraBase Compound ID H4GJAGDfFIE
InChI InChI=1S/C25H21NS/c1-25(2,3)18-10-8-16(9-11-18)21-14-17-15-26-13-12-19(17)23-20-6-4-5-7-22(20)27-24(21)23/h4-15H,1-3H3
InChIKey UEZKTJGGNUQZKN-UHFFFAOYSA-N
Mol Weight 367.51 g/mol
Molecular Formula C25H21NS
Exact Mass 367.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28FAwwey7zp
Name 6-(4-(tert-Butyl)phenyl)benzo[4,5]thieno[3,2-f]isoquinoline
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.139470854 u
Formula C25H21NS
InChI InChI=1S/C25H21NS/c1-25(2,3)18-10-8-16(9-11-18)21-14-17-15-26-13-12-19(17)23-20-6-4-5-7-22(20)27-24(21)23/h4-15H,1-3H3
InChIKey UEZKTJGGNUQZKN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 367.510 g/mol
Quality 238
Reported Formula C25H21NS
SMILES C1(=CC=C(C=C1)C(C)(C)C)C=1C2=C(C=3C=CN=CC3C1)C1=C(S2)C=CC=C1
SPLASH splash10-0uxr-1009000000-0c4282bb747b48471fc2
Source of Spectrum K1-2022-SM28-3m (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.45 (Heptane/EtOAc, 1:1)
Wiley ID 1899045