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N-(1,3-Dimethyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methyl-benzamide
SpectraBase Compound ID GeHGhkxftI9
InChI InChI=1S/C17H15F3N4O4/c1-8-4-6-9(7-5-8)12(25)22-16(17(18,19)20)10-11(21-14(16)27)23(2)15(28)24(3)13(10)26/h4-7H,1-3H3,(H,21,27)(H,22,25)
InChIKey OZFMMHLQWIXJSA-UHFFFAOYSA-N
Mol Weight 396.33 g/mol
Molecular Formula C17H15F3N4O4
Exact Mass 396.104539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7eWlJFs9eL
Name benzamide, N-[2,3,4,5,6,7-hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.104539464 u
Formula C17H15F3N4O4
InChI InChI=1S/C17H15F3N4O4/c1-8-4-6-9(7-5-8)12(25)22-16(17(18,19)20)10-11(21-14(16)27)23(2)15(28)24(3)13(10)26/h4-7H,1-3H3,(H,21,27)(H,22,25)
InChIKey OZFMMHLQWIXJSA-UHFFFAOYSA-N
Molecular Weight 396.326 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17648
Solvent DMSO-d6
Source Vendor ID: NMR/11231436; Lab Info: AU; Lab Number: AU-P000380