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5-bromanyl-2-[(3-methylphenyl)sulfanylmethoxy]pyrimidine
SpectraBase Compound ID 1A936O9zXOi
InChI InChI=1S/C12H11BrN2OS/c1-9-3-2-4-11(5-9)17-8-16-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3
InChIKey AOHUBTGTIOJWCQ-UHFFFAOYSA-N
Mol Weight 311.2 g/mol
Molecular Formula C12H11BrN2OS
Exact Mass 309.977547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A21s7yWEgY7
Name 5-bromanyl-2-[(3-methylphenyl)sulfanylmethoxy]pyrimidine
Alternate Name(s) 5-bromo-2-(m-tolylsulfanylmethoxy)pyrimidine 5-bromo-2-[(m-tolylthio)methoxy]pyrimidine 5-bromo-2-[[(3-methylphenyl)thio]methoxy]pyrimidine
CAS Registry Number 83768-14-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H11BrN2OS
InChI InChI=1S/C12H11BrN2OS/c1-9-3-2-4-11(5-9)17-8-16-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3
InChIKey AOHUBTGTIOJWCQ-UHFFFAOYSA-N
Molecular Weight 311.197 g/mol
SMILES c1(ncc(cn1)Br)OCSc1cc(C)ccc1
SPLASH splash10-000i-0900000000-b13f369d3af6f23394ed
Source of Spectrum Y-22-1079-4
Wiley ID 1311072