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1-[2-(Buta-1,3-diynyl)-4-chlorophenyl]urea
SpectraBase Compound ID 69ZKeuiflhP
InChI InChI=1S/C11H7ClN2O/c1-2-3-4-8-7-9(12)5-6-10(8)14-11(13)15/h1,5-7H,(H3,13,14,15)
InChIKey PDLBVISITSTDOM-UHFFFAOYSA-N
Mol Weight 218.64 g/mol
Molecular Formula C11H7ClN2O
Exact Mass 218.024691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wqBxenctZA
Name 1-[2-(Buta-1,3-diynyl)-4-chlorophenyl]urea
Alternate Name(s) 1-(2-(buta-1,3-diyn-1-yl)-4-chlorophenyl)urea (2-buta-1,3-diynyl-4-chlorophenyl)urea 1-(2-buta-1,3-diynyl-4-chloranyl-phenyl)urea
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Formula C11H7ClN2O
InChI InChI=1S/C11H7ClN2O/c1-2-3-4-8-7-9(12)5-6-10(8)14-11(13)15/h1,5-7H,(H3,13,14,15)
InChIKey PDLBVISITSTDOM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 218.643 g/mol
SMILES N(C(N)=O)c1ccc(cc1C#CC#C)Cl
SPLASH splash10-004i-0910000000-c0a18439c951eff7881f
Source of Spectrum A1-15-2616/SMS24-16
Wiley ID 1748579