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4-(1-benzothiophen-2-yl)-2-chloranyl-6-(furan-3-yl)pyrimidine
SpectraBase Compound ID 1WWcYKOmGef
InChI InChI=1S/C16H9ClN2OS/c17-16-18-12(11-5-6-20-9-11)8-13(19-16)15-7-10-3-1-2-4-14(10)21-15/h1-9H
InChIKey HHOPUVKZQWNACT-UHFFFAOYSA-N
Mol Weight 312.77 g/mol
Molecular Formula C16H9ClN2OS
Exact Mass 312.012412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aoeo4UxDXnr
Name 4-(1-benzothiophen-2-yl)-2-chloranyl-6-(furan-3-yl)pyrimidine
Alternate Name(s) 4-(1-benzothiophen-2-yl)-2-chloro-6-(3-furanyl)pyrimidine 4-(1-benzothiophen-2-yl)-2-chloro-6-(furan-3-yl)pyrimidine 4-(benzothiophen-2-yl)-2-chloro-6-(3-furyl)pyrimidine
CAS Registry Number 124959-42-8
Comments Less than 3 mono-isotopic peaks
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Formula C16H9ClN2OS
InChI InChI=1S/C16H9ClN2OS/c17-16-18-12(11-5-6-20-9-11)8-13(19-16)15-7-10-3-1-2-4-14(10)21-15/h1-9H
InChIKey HHOPUVKZQWNACT-UHFFFAOYSA-N
Molecular Weight 312.774 g/mol
SMILES c1(sc2ccccc2c1)-c1nc(Cl)nc(c1)-c1cocc1
SPLASH splash10-03di-0009000000-5942cf522cf5aeae8b2b
Source of Spectrum Y-27-1398-32
Wiley ID 1313085