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1-[(4-fluorophenyl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinazolin-5-one
SpectraBase Compound ID 6RYAW0bZjfx
InChI InChI=1S/C20H19F7N2O/c1-11-28-18(19(22,23)24,20(25,26)27)16-14(8-17(2,3)9-15(16)30)29(11)10-12-4-6-13(21)7-5-12/h4-7H,8-10H2,1-3H3
InChIKey ZJMBHJBTIBZBMZ-UHFFFAOYSA-N
Mol Weight 436.37 g/mol
Molecular Formula C20H19F7N2O
Exact Mass 436.13856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50TwefMg939
Name 1-[(4-fluorophenyl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinazolin-5-one
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Formula C20H19F7N2O
InChI InChI=1S/C20H19F7N2O/c1-11-28-18(19(22,23)24,20(25,26)27)16-14(8-17(2,3)9-15(16)30)29(11)10-12-4-6-13(21)7-5-12/h4-7H,8-10H2,1-3H3
InChIKey ZJMBHJBTIBZBMZ-UHFFFAOYSA-N
Molecular Weight 436.374 g/mol
SMILES C1=2CC(CC(C2C(N=C(N1Cc1ccc(cc1)F)C)(C(F)(F)F)C(F)(F)F)=O)(C)C
SPLASH splash10-0a4i-2900000000-4fb6b712beffe9b93a2e
Source of Spectrum IY-2-5083-1
Synonyms 5(1H)-Quinazolinone, 1-[(4-fluorophenyl)methyl]-4,6,7,8-tetrahydro-2,7,7-trimethyl-4,4-bis(trifluoromethyl)- 1-[(4-fluorophenyl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Wiley ID 1658814