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2-Chloro-4-(3-phenoxy-1-propynyl)pyrimidine
SpectraBase Compound ID Dn0CahXApgE
InChI InChI=1S/C13H9ClN2O/c14-13-15-9-8-11(16-13)5-4-10-17-12-6-2-1-3-7-12/h1-3,6-9H,10H2
InChIKey XOQSBYMSWCPLFQ-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 Crsn4wtQBqY
Name 2-Chloro-4-(3-phenoxy-1-propynyl)pyrimidine
Alternate Name(s) 3-(2-chloro-4-pyrimidinyl)-2-propynyl phenyl ether
Comments Less than 3 mono-isotopic peaks
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Formula C13H9ClN2O
InChI InChI=1S/C13H9ClN2O/c14-13-15-9-8-11(16-13)5-4-10-17-12-6-2-1-3-7-12/h1-3,6-9H,10H2
InChIKey XOQSBYMSWCPLFQ-UHFFFAOYSA-N
Molecular Weight 244.681 g/mol
SMILES c1(nc(ccn1)C#CCOc1ccccc1)Cl
SPLASH splash10-0006-0090000000-435dfc65e4c78cbed6a3
Source of Spectrum F-62-6130-12
Wiley ID 1633893