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2-Chloro-3-[(4-methoxyphenyl)ethynyl]pyrazine
SpectraBase Compound ID I6o1zgXpfFm
InChI InChI=1S/C13H9ClN2O/c1-17-11-5-2-10(3-6-11)4-7-12-13(14)16-9-8-15-12/h2-3,5-6,8-9H,1H3
InChIKey ZDAXNYSRUJAYIM-UHFFFAOYSA-N
Mol Weight 244.68 g/mol
Molecular Formula C13H9ClN2O
Exact Mass 244.040341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB5FvgeKOBi
Name 2-Chloro-3-[(4-methoxyphenyl)ethynyl]pyrazine
Appearance Yellowish needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.040340617 u
Formula C13H9ClN2O
InChI InChI=1S/C13H9ClN2O/c1-17-11-5-2-10(3-6-11)4-7-12-13(14)16-9-8-15-12/h2-3,5-6,8-9H,1H3
InChIKey ZDAXNYSRUJAYIM-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800613
Molecular Weight 244.681 g/mol
SMILES C1(Cl)=NC=CN=C1C#CC1=CC=C(C=C1)OC
SPLASH splash10-0006-0090000000-fb2367a87323897474e0
Source of Spectrum K1-2018-5037-7d (DOI: 10.1002/ejoc.201800613)
Thin-Layer Chromatography 0.30 (CH2Cl2)
Wiley ID 1894278