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4-(1-benzothiophen-2-yl)-2-chloranyl-pyrimidine
SpectraBase Compound ID 9GWBXGpoAX0
InChI InChI=1S/C12H7ClN2S/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H
InChIKey BANCBYXNLZNSCC-UHFFFAOYSA-N
Mol Weight 246.71 g/mol
Molecular Formula C12H7ClN2S
Exact Mass 246.001847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dgvj6ccAaH5
Name 4-(1-benzothiophen-2-yl)-2-chloranyl-pyrimidine
Alternate Name(s) Pyrimidine, 4-benzo[b]thien-2-yl-2-chloro- 4-(1-benzothiophen-2-yl)-2-chloropyrimidine 4-(benzothiophen-2-yl)-2-chloro-pyrimidine
CAS Registry Number 124959-26-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H7ClN2S
InChI InChI=1S/C12H7ClN2S/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H
InChIKey BANCBYXNLZNSCC-UHFFFAOYSA-N
Molecular Weight 246.715 g/mol
SMILES c1(sc2ccccc2c1)-c1nc(Cl)ncc1
SPLASH splash10-0002-0090000000-052db0eaaa3a4b8c4a42
Source of Spectrum Y-27-1397-11
Wiley ID 1248606