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1-phenyl-7-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID JWYNzjjAQul
InChI InChI=1S/C22H16F6N4O2/c23-21(24,25)20(22(26,27)28)16-17(29-15(31-20)12-11-13-7-3-1-4-8-13)32(19(34)30-18(16)33)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,29,31)(H,30,33,34)
InChIKey JNOMZKMFSPLCQA-UHFFFAOYSA-N
Mol Weight 482.39 g/mol
Molecular Formula C22H16F6N4O2
Exact Mass 482.117745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbrWr9B8qYd
Name 1-Phenyl-7-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 7-Phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-Phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16F6N4O2
InChI InChI=1S/C22H16F6N4O2/c23-21(24,25)20(22(26,27)28)16-17(29-15(31-20)12-11-13-7-3-1-4-8-13)32(19(34)30-18(16)33)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,29,31)(H,30,33,34)
InChIKey JNOMZKMFSPLCQA-UHFFFAOYSA-N
Molecular Weight 482.386 g/mol
SMILES N1C(C=2C(N=C(NC2N(c2ccccc2)C1=O)CCc1ccccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-01ox-9520500000-16b7a35c1ae365ee7fb8
Wiley ID 1443126