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4-Hexylthieno[3,2-f]isoquinoline
SpectraBase Compound ID 2cb9VEohq2n
InChI InChI=1S/C17H19NS/c1-2-3-4-5-6-13-11-14-12-18-9-7-15(14)16-8-10-19-17(13)16/h7-12H,2-6H2,1H3
InChIKey APMJTJJCUMIVOX-UHFFFAOYSA-N
Mol Weight 269.41 g/mol
Molecular Formula C17H19NS
Exact Mass 269.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aoce8Wa3cM0
Name 4-Hexylthieno[3,2-f]isoquinoline
Appearance White solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.123820790 u
Formula C17H19NS
InChI InChI=1S/C17H19NS/c1-2-3-4-5-6-13-11-14-12-18-9-7-15(14)16-8-10-19-17(13)16/h7-12H,2-6H2,1H3
InChIKey APMJTJJCUMIVOX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 269.406 g/mol
Quality 44
Reported Formula C17H19NS
SMILES C(CCCCC)C=1C2=C(C3=C(C1)C=NC=C3)C=CS2
SPLASH splash10-0002-0940000000-00b0a7e897155035118f
Source of Spectrum K1-2022-SM26-3i (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.3 (Heptane/EtOAc, 2:1)
Wiley ID 1899041