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Methyl 3-chloro-6-iodopyrazine-2-carboxylate
SpectraBase Compound ID 3RhC2KsHsfF
InChI InChI=1S/C6H4ClIN2O2/c1-12-6(11)4-5(7)9-2-3(8)10-4/h2H,1H3
InChIKey IXUAICVOCBTRJH-UHFFFAOYSA-N
Mol Weight 298.47 g/mol
Molecular Formula C6H4ClIN2O2
Exact Mass 297.9006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgpVETqC1EF
Name Methyl 3-chloro-6-iodopyrazine-2-carboxylate
Appearance Colorless solid
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Exact Mass 297.900600075 u
Formula C6H4ClIN2O2
InChI InChI=1S/C6H4ClIN2O2/c1-12-6(11)4-5(7)9-2-3(8)10-4/h2H,1H3
InChIKey IXUAICVOCBTRJH-UHFFFAOYSA-N
Instrument Name ThermoFinnigan MAT95XL or ThermoFisher Scientific LTQ-Orbitrap Velos
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702274
Molecular Weight 298.467 g/mol
Quality 28
Reported Formula C6H4ClIN2O2
SMILES COC(=O)C1=NC(=CN=C1Cl)I
SPLASH splash10-0007-0090000000-5d9b0feb85cfb39fe5d2
Source of Spectrum QE-23-SM2-9 (DOI: 10.1002/chem.201702274)
Thin-Layer Chromatography 0.57 (petroleum ether/EtOAc, 8:1)
Wiley ID 1905713