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3-((5-chlorothiophen-2-yl)(cyclohexyl)methyl)benzo[b]thiophene
SpectraBase Compound ID 1eeiKaeKQB0
InChI InChI=1S/C19H19ClS2/c20-18-11-10-17(22-18)19(13-6-2-1-3-7-13)15-12-21-16-9-5-4-8-14(15)16/h4-5,8-13,19H,1-3,6-7H2
InChIKey VHFLJIWKMMAOKD-UHFFFAOYSA-N
Mol Weight 346.93 g/mol
Molecular Formula C19H19ClS2
Exact Mass 346.061671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpXSkqG16JS
Name 3-((5-chlorothiophen-2-yl)(cyclohexyl)methyl)benzo[b]thiophene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClS2
InChI InChI=1S/C19H19ClS2/c20-18-11-10-17(22-18)19(13-6-2-1-3-7-13)15-12-21-16-9-5-4-8-14(15)16/h4-5,8-13,19H,1-3,6-7H2
InChIKey VHFLJIWKMMAOKD-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 346.934 g/mol
SMILES c1cc2c(cc1)scc2C(c1sc(cc1)Cl)C1CCCCC1
SPLASH splash10-03fr-0090000000-47e574c416cd44e1caaa
Source of Spectrum ACI-60-SM39-4x
Wiley ID 1880291