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1-[2-(Buta-1,3-diynyl)-4-methylphenyl]urea
SpectraBase Compound ID CDhFu9ZAlwm
InChI InChI=1S/C12H10N2O/c1-3-4-5-10-8-9(2)6-7-11(10)14-12(13)15/h1,6-8H,2H3,(H3,13,14,15)
InChIKey FTQJUJZJQWAUGO-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C12H10N2O
Exact Mass 198.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVhCFS2VQk
Name 1-[2-(Buta-1,3-diynyl)-4-methylphenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O
InChI InChI=1S/C12H10N2O/c1-3-4-5-10-8-9(2)6-7-11(10)14-12(13)15/h1,6-8H,2H3,(H3,13,14,15)
InChIKey FTQJUJZJQWAUGO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 198.225 g/mol
SMILES N(C(N)=O)c1ccc(C)cc1C#CC#C
SPLASH splash10-0pb9-0900000000-4d41f8e613b7706d652f
Source of Spectrum A1-15-2616/SMS22-13
Synonyms 1-(2-(buta-1,3-diyn-1-yl)-4-methylphenyl)urea
Wiley ID 1748576