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N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
SpectraBase Compound ID 8OMt0ZddgFZ
InChI InChI=1S/C19H19F3N4O4/c1-2-3-9-12(27)25-18(19(20,21)22)13-14(23-16(18)29)26(17(30)24-15(13)28)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey MFDFEZRAQYHVPZ-UHFFFAOYSA-N
Mol Weight 424.38 g/mol
Molecular Formula C19H19F3N4O4
Exact Mass 424.13584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WDsoMfQEv6
Name N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
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/C19H19F3N4O4/c1-2-3-9-12(27)25-18(19(20,21)22)13-14(23-16(18)29)26(17(30)24-15(13)28)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey MFDFEZRAQYHVPZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20246
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: D16442; Labnumber: SOK-1227; SBI_ID: SBI-020250
Temperature 315 °C