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5-Methyl-1H-quinazoline-2,4-dione
SpectraBase Compound ID DCrUb58PFgE
InChI InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKey OVLVVBLYTQYCCS-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBEwurD0RId
Name 5-Methyl-1H-quinazoline-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKey OVLVVBLYTQYCCS-UHFFFAOYSA-N
Instrument Name Varian MAT 731 & Varian 311A & AMD-402
Ionization Type EI
Literature Reference DOI 10.1021/np0305425
Molecular Weight 176.175 g/mol
Reported Formula C9H8N2O2
SMILES N1C(NC(c2c(C)cccc12)=O)=O
SPLASH splash10-004i-1900000000-c57eb61432d6978e2e97
Source of Spectrum G4-67-1134-6
Thin-Layer Chromatography Rf = 0.50 (CHCl3/MeOH, 90:10)
Wiley ID 1881835