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1-(4-fluorobenzyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
SpectraBase Compound ID HHe9UHnlmjE
InChI InChI=1S/C19H17F7N2O2/c1-16(2)7-12-14(13(29)8-16)17(18(21,22)23,19(24,25)26)27-15(30)28(12)9-10-3-5-11(20)6-4-10/h3-6H,7-9H2,1-2H3,(H,27,30)
InChIKey JNWVECGOPZLRFP-UHFFFAOYSA-N
Mol Weight 438.35 g/mol
Molecular Formula C19H17F7N2O2
Exact Mass 438.117825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lwJVIqPgTH
Name 1-[(4-fluorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F7N2O2
InChI InChI=1S/C19H17F7N2O2/c1-16(2)7-12-14(13(29)8-16)17(18(21,22)23,19(24,25)26)27-15(30)28(12)9-10-3-5-11(20)6-4-10/h3-6H,7-9H2,1-2H3,(H,27,30)
InChIKey JNWVECGOPZLRFP-UHFFFAOYSA-N
Molecular Weight 438.346 g/mol
SMILES N1C(N(C=2CC(CC(C2C1(C(F)(F)F)C(F)(F)F)=O)(C)C)Cc1ccc(cc1)F)=O
SPLASH splash10-0a4i-3900000000-b2be5e1483d2bf29c557
Source of Spectrum IY-2-5075-5
Synonyms 2,5(1H,3H)-Quinazolinedione, 1-[(4-fluorophenyl)methyl]-4,6,7,8-tetrahydro-7,7-dimethyl-4,4-bis(trifluoromethyl)- 1-[(4-fluorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
Wiley ID 1658738