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1-[2-(Buta-1,3-diynyl)phenyl]-3-methylurea
SpectraBase Compound ID 83J4ylwdfLK
InChI InChI=1S/C12H10N2O/c1-3-4-7-10-8-5-6-9-11(10)14-12(15)13-2/h1,5-6,8-9H,2H3,(H2,13,14,15)
InChIKey MDEPUCFFVYZTOY-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 B5xvoe3x0J8
Name 1-[2-(Buta-1,3-diynyl)phenyl]-3-methylurea
Alternate Name(s) 1-(2-(buta-1,3-diyn-1-yl)phenyl)-3-methylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O
InChI InChI=1S/C12H10N2O/c1-3-4-7-10-8-5-6-9-11(10)14-12(15)13-2/h1,5-6,8-9H,2H3,(H2,13,14,15)
InChIKey MDEPUCFFVYZTOY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 198.225 g/mol
SMILES N(C(NC)=O)c1ccccc1C#CC#C
SPLASH splash10-0006-0900000000-0b3d9b61dad99751cfa5
Source of Spectrum A1-15-2616/SMS31-26
Wiley ID 1748586