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3-(Cyclohexylethynyl)-4-(thien-3-yl)pyridine
SpectraBase Compound ID CMFGcjVL3m
InChI InChI=1S/C17H17NS/c1-2-4-14(5-3-1)6-7-15-12-18-10-8-17(15)16-9-11-19-13-16/h8-14H,1-5H2
InChIKey PINPNFHRXBOGPX-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 2mOwG3i0Zs
Name 3-(Cyclohexylethynyl)-4-(thien-3-yl)pyridine
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 267.108170725 u
Formula C17H17NS
InChI InChI=1S/C17H17NS/c1-2-4-14(5-3-1)6-7-15-12-18-10-8-17(15)16-9-11-19-13-16/h8-14H,1-5H2
InChIKey PINPNFHRXBOGPX-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#CC=1C=NC=CC1C1=CSC=C1
SPLASH splash10-01pa-0690000000-e6ec051049f938baedfd
Source of Spectrum K1-2022-SM12-2i (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.25 (Heptane/EtOAc, 5:1)
Wiley ID 1899020