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2-(1,1-Dicyanomethylidene)-6-methyl-1,3-dihydropyrimidin-4(1H)-one
SpectraBase Compound ID 3MzpGcbrFU5
InChI InChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10/h2,11H,1H3,(H,12,13)
InChIKey OQEQWPKAEGNIIT-UHFFFAOYSA-N
Mol Weight 174.16 g/mol
Molecular Formula C8H6N4O
Exact Mass 174.054161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ef57rDjN18
Name 2-(1,1-Dicyanomethylidene)-6-methyl-1,3-dihydropyrimidin-4(1H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N4O
InChI InChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10/h2,11H,1H3,(H,12,13)
InChIKey OQEQWPKAEGNIIT-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2525
Molecular Weight 174.163 g/mol
SMILES N1C(NC(=CC1=O)C)=C(C#N)C#N
SPLASH splash10-00xr-3900000000-0c1ed972e8ec1cd1a767
Source of Spectrum Y-53-2033-2f
Wiley ID 1876749