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1-[2-(Buta-1,3-diynyl)phenyl]-3-phenylurea
SpectraBase Compound ID 2yiAFWLfoVe
InChI InChI=1S/C17H12N2O/c1-2-3-9-14-10-7-8-13-16(14)19-17(20)18-15-11-5-4-6-12-15/h1,4-8,10-13H,(H2,18,19,20)
InChIKey MITBPBFQBYZJOJ-UHFFFAOYSA-N
Mol Weight 260.3 g/mol
Molecular Formula C17H12N2O
Exact Mass 260.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANCqLSJkNwE
Name 1-[2-(Buta-1,3-diynyl)phenyl]-3-phenylurea
Alternate Name(s) 1-(2-(buta-1,3-diyn-1-yl)phenyl)-3-phenylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O
InChI InChI=1S/C17H12N2O/c1-2-3-9-14-10-7-8-13-16(14)19-17(20)18-15-11-5-4-6-12-15/h1,4-8,10-13H,(H2,18,19,20)
InChIKey MITBPBFQBYZJOJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 260.296 g/mol
SMILES N(C(Nc1ccccc1)=O)c1ccccc1C#CC#C
SPLASH splash10-0006-5940000000-02f9b0e10d0ac3c88b09
Source of Spectrum A1-15-2616/SMS32-27
Wiley ID 1748587