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4-fluoro-N-[1-(4-methoxyphenyl)-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 GQGOYjPq6gO
InChI InChI=1S/C21H14F4N4O5/c1-34-13-8-6-12(7-9-13)29-15-14(17(31)27-19(29)33)20(18(32)26-15,21(23,24)25)28-16(30)10-2-4-11(22)5-3-10/h2-9H,1H3,(H,26,32)(H,28,30)(H,27,31,33)
InChIKey ZABBPBWUBUWLQK-UHFFFAOYSA-N
Mol Weight 478.36 g/mol
Molecular Formula C21H14F4N4O5
Exact Mass 478.090032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21FD22Z56Im
Name 4-fluoro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H14F4N4O5/c1-34-13-8-6-12(7-9-13)29-15-14(17(31)27-19(29)33)20(18(32)26-15,21(23,24)25)28-16(30)10-2-4-11(22)5-3-10/h2-9H,1H3,(H,26,32)(H,28,30)(H,27,31,33)
InChIKey ZABBPBWUBUWLQK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27281
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D75809; Labnumber: SOK-1278; SBI_ID: SBI-027285
Temperature 308 °C