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4-Cyclohexylthieno[3,2-f]isoquinoline
SpectraBase Compound ID Il78Ex0v8Mg
InChI InChI=1S/C17H17NS/c1-2-4-12(5-3-1)16-10-13-11-18-8-6-14(13)15-7-9-19-17(15)16/h6-12H,1-5H2
InChIKey JIHRXPNJGCTEBM-UHFFFAOYSA-N
Mol Weight 267.39 g/mol
Molecular Formula C17H17NS
Exact Mass 267.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9HopX1OYvf
Name 4-Cyclohexylthieno[3,2-f]isoquinoline
Appearance Pale yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.108170725 u
Formula C17H17NS
InChI InChI=1S/C17H17NS/c1-2-4-12(5-3-1)16-10-13-11-18-8-6-14(13)15-7-9-19-17(15)16/h6-12H,1-5H2
InChIKey JIHRXPNJGCTEBM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 267.390 g/mol
Reported Formula C17H17NS
SMILES C1(CCCCC1)C=1C2=C(C3=C(C1)C=NC=C3)C=CS2
SPLASH splash10-02ta-0290000000-9718c931339a5cababfe
Source of Spectrum K1-2022-SM25-3h (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.3 (Heptane/EtOAc, 2:1)
Wiley ID 1899040