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4-Fluoranyl-N-[1-(2-methylpropyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SpectraBase Compound ID KWSqkidbzvX
InChI InChI=1S/C18H16F4N4O4/c1-8(2)7-26-12-11(14(28)24-16(26)30)17(15(29)23-12,18(20,21)22)25-13(27)9-3-5-10(19)6-4-9/h3-6,8H,7H2,1-2H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey ZLQIBCZNLNQHJZ-UHFFFAOYSA-N
Mol Weight 428.34 g/mol
Molecular Formula C18H16F4N4O4
Exact Mass 428.110768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INfU6DMNBme
Name 4-Fluoranyl-N-[1-(2-methylpropyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Alternate Name(s) 4-Fluoro-N-[1-(2-methylpropyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide 4-Fluoro-N-[1-isobutyl-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide 4-Fluoro-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F4N4O4
InChI InChI=1S/C18H16F4N4O4/c1-8(2)7-26-12-11(14(28)24-16(26)30)17(15(29)23-12,18(20,21)22)25-13(27)9-3-5-10(19)6-4-9/h3-6,8H,7H2,1-2H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey ZLQIBCZNLNQHJZ-UHFFFAOYSA-N
Molecular Weight 428.344 g/mol
SMILES N1C(C=2C(C(NC2N(CC(C)C)C1=O)=O)(NC(c1ccc(cc1)F)=O)C(F)(F)F)=O
SPLASH splash10-00di-6900000000-0e073982543f1ff3a3b6
Wiley ID 1443212