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

*Links on SpectraBase are not permalinks.
N-[1-(4-fluorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methyl-butyramide
SpectraBase Compound ID 97OVXQ7sAux
InChI InChI=1S/C18H16F4N4O4/c1-8(2)7-11(27)25-17(18(20,21)22)12-13(23-15(17)29)26(16(30)24-14(12)28)10-5-3-9(19)4-6-10/h3-6,8H,7H2,1-2H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey IZAJENFSQINQFJ-UHFFFAOYSA-N
Mol Weight 428.34 g/mol
Molecular Formula C18H16F4N4O4
Exact Mass 428.110768 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 9LJhx8jO6dy
Name N-[1-(4-fluorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methyl-butyramide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F4N4O4
InChI InChI=1S/C18H16F4N4O4/c1-8(2)7-11(27)25-17(18(20,21)22)12-13(23-15(17)29)26(16(30)24-14(12)28)10-5-3-9(19)4-6-10/h3-6,8H,7H2,1-2H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey IZAJENFSQINQFJ-UHFFFAOYSA-N
Molecular Weight 428.344 g/mol
SMILES N1C(N(C2=C(C(C(N2)=O)(C(F)(F)F)NC(=O)CC(C)C)C1=O)c1ccc(cc1)F)=O
SPLASH splash10-0006-9110000000-0ccd49aa5cc4f9107566
Synonyms N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methyl-butanamide N-[1-(4-fluorophenyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methyl-butanamide
Wiley ID 1512513