For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-trichloromethyl-5-methyl-3-phenyl-
SpectraBase Compound ID 6vFIVOuhkUf
InChI InChI=1S/C14H9Cl3N4O2/c1-7-9-10(19-12(18-7)14(15,16)17)20-13(23)21(11(9)22)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19,20,23)
InChIKey XYRJPEZSPZNXRL-UHFFFAOYSA-N
Mol Weight 371.61 g/mol
Molecular Formula C14H9Cl3N4O2
Exact Mass 369.979109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K9Gd5FwXG1F
Name Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-trichloromethyl-5-methyl-3-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9Cl3N4O2
InChI InChI=1S/C14H9Cl3N4O2/c1-7-9-10(19-12(18-7)14(15,16)17)20-13(23)21(11(9)22)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19,20,23)
InChIKey XYRJPEZSPZNXRL-UHFFFAOYSA-N
Molecular Weight 371.611 g/mol
SMILES N1C(N(C(c2c1nc(nc2C)C(Cl)(Cl)Cl)=O)c1ccccc1)=O
SPLASH splash10-014i-9412000000-0fb327f10f02d2d68d86
Source of Spectrum AD-0-2532-0
Synonyms 5-Methyl-3-phenyl-7-(trichloromethyl)-1H-pyrimido[4,5-d]pyrimidine-2,4-dione 5-Methyl-3-phenyl-7-(trichloromethyl)-1H-pyrimido[4,5-d]pyrimidine-2,4-quinone 5-Methyl-3-phenyl-7-(trichloromethyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Wiley ID 1426338