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

*Links on SpectraBase are not permalinks.
2-Methyl-N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SpectraBase Compound ID 9QqlnC8xcpH
InChI InChI=1S/C16H13F3N4O4/c1-7-5-3-4-6-8(7)11(24)22-15(16(17,18)19)9-10(20-13(15)26)23(2)14(27)21-12(9)25/h3-6H,1-2H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey PIYHYTZVBUFMQX-UHFFFAOYSA-N
Mol Weight 382.3 g/mol
Molecular Formula C16H13F3N4O4
Exact Mass 382.088889 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 B4CqEv48NY8
Name 2-Methyl-N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3N4O4
InChI InChI=1S/C16H13F3N4O4/c1-7-5-3-4-6-8(7)11(24)22-15(16(17,18)19)9-10(20-13(15)26)23(2)14(27)21-12(9)25/h3-6H,1-2H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey PIYHYTZVBUFMQX-UHFFFAOYSA-N
Molecular Weight 382.299 g/mol
SMILES N1C(C=2C(C(NC2N(C1=O)C)=O)(NC(=O)c1c(cccc1)C)C(F)(F)F)=O
SPLASH splash10-014i-7900000000-ba481da0a16a9d85fd46
Synonyms 2-Methyl-N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide 2-Methyl-N-[1-methyl-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide 2-Methyl-N-[2,4,6-triketo-1-methyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Benzamide, 2-methyl-N-(1-methyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-
Wiley ID 1438285