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 Google Search
Mol Weight	198.22 g/mol
Molecular Formula	C12H10N2O
Exact Mass	198.079313 g/mol

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SpectraBase Spectrum ID	B5xvoe3x0J8
Name	1-[2-(Buta-1,3-diynyl)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
Synonyms	1-(2-(buta-1,3-diyn-1-yl)phenyl)-3-methylurea
Wiley ID	1748586