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1-[4-Methoxy-2-(buta-1,3-diynyl)phenyl]urea
SpectraBase Compound ID LhgqTZ3GG4b
InChI InChI=1S/C12H10N2O2/c1-3-4-5-9-8-10(16-2)6-7-11(9)14-12(13)15/h1,6-8H,2H3,(H3,13,14,15)
InChIKey WKNAEBJOPPTTIS-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhJditUQPyW
Name 1-[4-Methoxy-2-(buta-1,3-diynyl)phenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c1-3-4-5-9-8-10(16-2)6-7-11(9)14-12(13)15/h1,6-8H,2H3,(H3,13,14,15)
InChIKey WKNAEBJOPPTTIS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 214.224 g/mol
SMILES N(C(N)=O)c1c(C#CC#C)cc(cc1)OC
SPLASH splash10-074i-0940000000-6935e0b25acf25a883d5
Source of Spectrum A1-15-2616/SMS23-15
Synonyms 1-(2-(buta-1,3-diyn-1-yl)-4-methoxyphenyl)urea
Wiley ID 1748578