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1,3(2H,4H)-Quinazolinediacetonitrile, 2,4-dioxo-
SpectraBase Compound ID HBsgMS3Wdee
InChI InChI=1S/C12H8N4O2/c13-5-7-15-10-4-2-1-3-9(10)11(17)16(8-6-14)12(15)18/h1-4H,7-8H2
InChIKey DATVLWIDGQTBDG-UHFFFAOYSA-N
Mol Weight 240.22 g/mol
Molecular Formula C12H8N4O2
Exact Mass 240.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FViKTaEBC7T
Name 1,3(2H,4H)-Quinazolinediacetonitrile, 2,4-dioxo-
CAS Registry Number 112342-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4O2
InChI InChI=1S/C12H8N4O2/c13-5-7-15-10-4-2-1-3-9(10)11(17)16(8-6-14)12(15)18/h1-4H,7-8H2
InChIKey DATVLWIDGQTBDG-UHFFFAOYSA-N
Molecular Weight 240.222 g/mol
SMILES C1(N(C(c2c(N1CC#N)cccc2)=O)CC#N)=O
SPLASH splash10-1000-0930000000-051d9045977a830af992
Source of Spectrum AH-118-78-14
Synonyms (1-(cyanomethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)acetonitrile 1,2,3,4-Tetrahydro-2,4-dioxoquinazoline-1,3-(diacetonitrile) 2-[3-(cyanomethyl)-2,4-dioxo-1-quinazolinyl]acetonitrile 2-[3-(cyanomethyl)-2,4-dioxoquinazolin-1-yl]acetonitrile 2-[3-(cyanomethyl)-2,4-dioxo-quinazolin-1-yl]acetonitrile 2-[3-(cyanomethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]ethanenitrile
Wiley ID 1242604